data_1wot_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 1wot _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 ' 1' ' ' MET . . . . . 0.494 ' CE ' HG23 ' A' ' 70' ' ' VAL . 1.6 ttm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.509 0.195 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -128.75 152.55 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.466 ' CD2' ' HA2' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -56.17 -46.2 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.63 -37.64 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 1.2 m -78.71 -33.38 46.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.67 -39.84 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -31.92 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.61 -52.6 64.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.512 ' CD ' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -76.0 -33.73 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.495 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.84 -33.73 67.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -47.7 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.48 -39.85 67.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' HA ' ' CG ' ' A' ' 16' ' ' LEU . 52.4 t -59.47 -37.45 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.24 -42.22 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -43.94 97.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' CG ' ' HA ' ' A' ' 13' ' ' VAL . 4.3 pp -75.35 -35.49 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.4 m -59.08 -40.91 86.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.524 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 77.6 m-70 -67.71 -36.59 80.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.17 57.01 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.31 108.12 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 18.0 m -93.18 -53.41 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -74.38 62.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.434 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 3.4 t -82.63 93.61 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -142.91 156.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 t -101.48 125.26 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 2.8 p90 -125.23 134.51 52.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.96 -158.58 17.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -30.04 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 42' ' ' LEU . 77.6 t -57.86 -49.37 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -9.25 59.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' HA2' ' CD2' ' A' ' 3' ' ' LEU . . . 91.35 39.71 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -134.01 126.39 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 169.76 114.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -175.11 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.96 -1.22 30.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -121.23 12.79 11.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.0 t -101.88 165.92 10.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 167.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 31' ' ' VAL . 44.0 tp -111.15 110.24 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 70.5 m-20 -90.47 119.23 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.25 125.77 37.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 1.3 tm? -104.8 112.48 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.407 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -123.67 155.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -119.81 120.46 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.776 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 99.1 m-85 -92.61 125.8 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.82 -155.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.49 144.55 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.01 -22.95 35.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -76.83 130.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -118.04 174.06 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.62 -27.81 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -43.02 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.81 -36.3 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.776 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.0 m170 -60.41 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -60.22 -41.16 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -63.84 -38.61 91.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.524 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -74.89 -42.75 57.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.98 -40.74 96.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.509 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -73.7 -37.42 65.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.3 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -67.48 -46.07 74.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 24.8 mt-10 -64.01 -31.88 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 -50.6 11.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.92 90.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' O ' ' NH2' ' A' ' 9' ' ' ARG . 7.8 mp -82.55 -13.2 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 51.97 20.05 5.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.494 HG23 ' CE ' ' A' ' 1' ' ' MET . 17.7 m -143.3 153.01 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -46.04 133.23 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.8 t -133.99 125.75 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -104.79 118.23 36.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 75' ' ' VAL . 78.8 mt -107.47 144.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 21.8 t -130.31 146.54 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 p -105.39 127.67 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -47.48 -37.49 11.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -58.88 -73.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.32 -27.93 4.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.7 mt -55.4 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -111.32 168.36 7.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -44.34 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -78.38 -24.84 46.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -83.37 -48.28 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 25.9 ttt180 -52.83 -50.8 62.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -55.09 -42.61 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.26 -36.63 69.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.515 HG13 ' CG ' ' A' ' 28' ' ' PHE . 60.3 t -61.93 -44.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.25 -47.28 78.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -53.69 -23.54 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -99.55 -39.08 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.08 127.84 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.411 ' N ' ' HB3' ' A' ' 26' ' ' ARG . 1.2 pp -126.07 123.97 24.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.412 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.5 Cg_endo -74.97 115.12 4.19 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 14' ' ' LEU . 1.7 tt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.49 ' HG3' ' CD2' ' A' ' 6' ' ' LEU . 1.9 ttm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.5 0.191 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 63.1 m-20 -98.22 154.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.27 -46.29 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.72 -38.05 80.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.474 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 2.4 m -76.22 -30.41 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -54.46 -39.53 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -74.31 -41.83 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.29 66.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -33.83 76.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.95 -48.08 80.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.23 -46.49 88.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . . . -70.44 -36.38 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.555 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 11.4 t -66.45 -34.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -65.13 -41.48 94.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -45.65 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.555 ' HG ' ' HA ' ' A' ' 13' ' ' VAL . 4.4 pp -73.6 -37.95 65.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.9 m -58.99 -37.19 76.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.68 78.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.9 -18.49 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.537 ' CG ' HD12 ' A' ' 60' ' ' LEU . 10.1 m-70 -86.61 5.14 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 80.69 56.21 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.32 116.57 15.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.92 -39.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 2.2 mmt85 -84.27 53.41 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 14' ' ' LEU . 4.3 m -66.19 105.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.68 155.23 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.47 116.58 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 43' ' ' ASP . 9.2 p90 -122.96 147.31 46.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.54 -163.8 12.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -33.65 74.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' HD11 ' A' ' 42' ' ' LEU . 16.2 t -59.14 -33.71 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.2 -39.21 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -17.85 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.8 25.28 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 4.1 tp10 -124.68 130.4 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.68 105.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.58 160.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.35 -0.73 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.38 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 176.6 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.65 170.34 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' A' ' 31' ' ' VAL . 1.2 tp -115.48 119.88 37.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.573 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.4 m-20 -86.41 112.57 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.04 125.52 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 HD21 ' CG1' ' A' ' 88' ' ' VAL . 13.9 tp -102.21 115.78 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG2' HG21 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.03 159.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -122.79 120.69 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 85.1 m-85 -91.38 132.72 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.27 -172.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -82.15 147.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.09 -6.23 61.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -94.66 159.23 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.0 p -139.47 172.93 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -33.74 68.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -40.57 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -36.84 72.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.643 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 12.5 m170 -58.75 -51.79 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.83 79.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -63.75 -38.4 90.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' A' ' 20' ' ' HIS . 8.0 tp -74.25 -45.27 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -58.02 -38.27 75.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -70.51 -34.89 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.76 74.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 60' ' ' LEU . 2.5 mt -71.43 -37.8 71.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 12.2 mt-10 -58.86 -33.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.64 -50.57 11.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.51 -45.8 74.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.492 HD13 ' CZ ' ' A' ' 9' ' ' ARG . 3.6 mp -80.85 -6.86 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 38.64 28.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 69' ' ' GLY . 22.0 m -156.43 156.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -38.75 140.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.479 ' CG2' HD22 ' A' ' 68' ' ' LEU . 58.7 t -133.74 131.36 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.67 110.66 16.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.488 HG21 ' CG2' ' A' ' 46' ' ' VAL . 27.8 mt -99.95 144.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.474 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 45.6 t -127.3 145.02 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 79' ' ' GLY . 59.5 p -107.86 121.82 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.4 mt-10 -38.31 -46.82 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -48.98 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -64.73 -35.84 92.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.3 mt -55.73 178.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -113.67 170.96 4.78 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -25.26 44.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mp -83.43 -48.69 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.2 ttm180 -53.31 -50.78 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -54.96 -42.94 72.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -72.19 -36.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.536 HG12 ' CG ' ' A' ' 28' ' ' PHE . 53.6 t -62.76 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.2 mt -55.82 -42.43 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -23.86 22.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -102.15 -47.81 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.61 141.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.2 pt -140.8 126.18 11.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE3' ' CD2' ' A' ' 6' ' ' LEU . 8.8 ptm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.33 157.2 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.56 -45.45 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.19 -37.33 84.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.632 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -57.69 -40.79 80.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.9 mmt180 -64.16 -41.78 97.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.93 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.74 -30.63 68.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.632 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.95 -45.63 78.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.65 -44.83 85.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.482 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . . . -71.92 -36.15 69.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' HA ' ' CG ' ' A' ' 16' ' ' LEU . 19.5 t -68.8 -34.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' CG2' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.22 -42.07 89.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -46.03 87.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' CG ' ' HA ' ' A' ' 13' ' ' VAL . 4.3 pp -73.32 -36.25 66.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 2.1 m -58.04 -40.61 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.52 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -32.86 63.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.571 ' CD2' HD11 ' A' ' 60' ' ' LEU . 81.8 m-70 -82.12 5.34 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 84.75 69.43 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . -140.82 112.38 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.41 -40.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -84.84 50.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 25' ' ' VAL . 2.8 p -65.99 105.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -152.41 155.38 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 p -114.8 114.62 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' HG11 ' A' ' 88' ' ' VAL . 9.0 p90 -121.76 147.92 45.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.41 -171.57 14.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -59.8 -40.13 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.34 -33.47 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -90.04 8.71 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.94 45.98 24.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -133.07 126.98 33.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' ARG . . . 170.66 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' ALA . 4.1 ptp180 -52.06 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -10.54 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.19 29.88 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -112.07 166.8 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.67 171.27 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 1.5 tm? -112.3 120.0 40.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -98.11 114.21 26.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.6 OUTLIER -129.61 125.1 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 7.9 tp -100.5 113.34 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -130.68 159.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.59 121.94 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 71.7 m-85 -92.2 126.55 37.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.59 -174.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.33 150.65 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.94 72.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -95.62 139.49 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -116.09 168.9 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -29.43 63.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.18 -42.26 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.07 -36.96 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.599 ' NE2' ' CG ' ' A' ' 48' ' ' PHE . 23.7 m170 -59.8 -48.12 82.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.4 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -68.69 -34.91 76.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 20' ' ' HIS . 1.8 tp -66.66 -46.11 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -64.26 -39.96 95.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -36.78 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.06 68.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -69.16 -48.86 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 57.2 mt-10 -60.49 -27.43 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.8 -52.19 12.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -70.16 -41.71 73.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HG ' ' CD ' ' A' ' 9' ' ' ARG . 7.5 mp -79.95 -13.12 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 41.73 24.95 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.436 HG11 ' C ' ' A' ' 69' ' ' GLY . 26.0 m -148.29 156.28 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.97 131.86 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.477 ' CG2' HD22 ' A' ' 68' ' ' LEU . 2.7 t -133.84 136.16 54.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.21 110.8 16.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.477 HG22 ' CG2' ' A' ' 46' ' ' VAL . 61.5 mt -96.16 145.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 80' ' ' LEU . 2.1 t -121.76 141.99 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' GLY . 6.0 p -110.63 121.09 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.74 -46.68 88.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.46 -36.56 54.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -59.08 139.99 56.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.52 172.03 10.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -26.58 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 1.1 mp -81.6 -38.63 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 33.4 ttm180 -53.5 -50.47 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -41.99 72.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -71.8 -36.61 70.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 28' ' ' PHE . 48.7 t -64.52 -48.8 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -57.62 -40.75 79.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -24.16 15.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -105.8 -40.65 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 28' ' ' PHE . . . -54.46 132.15 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.9 pt -126.46 133.23 24.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.03 113.72 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 6' ' ' LEU . 1.8 ttm . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.505 0.193 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 6' ' ' LEU . 8.2 m-20 -126.34 158.18 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.9 mm? -63.24 -47.18 83.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.56 -41.67 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -74.77 -33.46 62.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.574 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.28 -35.84 70.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -69.78 -40.11 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.92 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -67.11 -36.61 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.574 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -60.68 -44.75 96.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.11 -45.87 89.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.55 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 54.6 t -68.05 -36.84 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -59.46 -42.88 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -34.7 74.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.37 -41.6 56.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.539 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.83 -41.44 86.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.43 77.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -38.78 77.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 11.5 m-70 -67.64 -36.83 81.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.568 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 128.04 41.72 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.24 110.83 20.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 18.2 m -91.42 -52.96 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 8.5 mmt-85 -78.09 85.82 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 14' ' ' LEU . 3.4 m -89.73 103.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.54 156.13 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 44' ' ' LEU . 2.3 p -122.71 125.16 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 6.1 p90 -123.07 148.59 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.98 -165.19 16.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -69.69 -36.91 76.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.3 t -58.23 -33.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.58 -39.99 65.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -17.96 48.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.89 37.03 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.1 mm-40 -122.61 129.63 52.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 169.69 109.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.76 -0.39 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.65 29.21 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.9 t -103.13 164.81 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -102.13 161.71 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -114.48 119.67 37.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -98.63 125.42 43.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 HD12 ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.81 125.41 35.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -99.59 112.38 24.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.42 159.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.56 120.08 31.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 98.9 m-85 -93.06 129.57 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.71 -171.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.77 16.73 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.42 34.1 2.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 29.2 mmt180 -131.12 159.36 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.542 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 56.2 p -128.93 168.97 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -32.35 71.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -43.25 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 20' ' ' HIS . 8.7 t0 -70.51 -36.46 73.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 14.1 m170 -58.62 -51.89 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -66.48 -39.77 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -62.58 -34.27 76.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -71.12 -35.14 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.45 -37.01 84.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.488 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.7 mp -66.61 -30.8 71.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.05 60.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' HD21 ' A' ' 64' ' ' LEU . 1.9 mt -64.37 -41.79 96.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 3.2 mt-10 -60.46 -36.26 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.66 -51.07 9.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.45 -45.67 86.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -81.52 -13.45 58.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 50.24 20.23 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG11 ' C ' ' A' ' 69' ' ' GLY . 19.9 m -142.17 164.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -55.01 138.6 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.482 ' CG2' HD23 ' A' ' 68' ' ' LEU . 81.8 t -133.2 139.48 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -121.8 111.57 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.487 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 56.1 mt -101.78 144.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.5 t -135.66 145.42 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 p -107.85 130.02 55.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.3 -41.48 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -23.55 67.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -96.22 -16.18 38.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.6 mt -74.15 -178.8 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -104.8 166.11 12.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -44.41 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -77.85 -26.59 49.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 -40.51 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 16.1 ttt-85 -52.76 -50.11 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.68 -38.39 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.9 -34.94 69.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.535 HG12 ' CG ' ' A' ' 28' ' ' PHE . 97.8 t -71.95 -34.27 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 95.5 mt -64.2 -51.67 62.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 12.9 ptm180 -66.03 -40.54 91.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 90' ' ' ARG . 64.2 mm-40 -70.26 -55.95 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 88' ' ' VAL . . . -39.75 158.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.4 pt -147.83 133.49 9.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 114.42 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.507 ' HE3' ' CD2' ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.521 0.201 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -107.43 166.3 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 1.9 mp -69.78 -45.22 68.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -43.95 63.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -72.8 -33.15 66.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.83 -34.59 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -72.03 -41.14 67.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -52.09 65.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -65.04 -33.34 75.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.64 -35.22 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.36 -47.84 59.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.79 72.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 ' O ' HD21 ' A' ' 16' ' ' LEU . 12.7 t -67.44 -36.54 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -59.08 -43.42 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.5 t -67.92 -35.53 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.99 -41.09 52.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.522 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.25 -30.84 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.07 -33.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -18.88 61.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 77.0 m-70 -98.27 -34.57 10.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 123.64 75.81 0.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 17' ' ' CYS . . . -145.76 103.24 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -101.98 -36.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 28.6 mmt180 -83.34 49.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 14' ' ' LEU . 3.3 m -66.6 101.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -152.07 155.22 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 44' ' ' LEU . 3.1 t -111.55 125.51 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 3.7 p90 -124.45 137.18 54.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.67 -162.2 12.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -31.24 66.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.451 ' CG1' HD23 ' A' ' 42' ' ' LEU . 20.6 m -58.14 -45.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB3' ' CG1' ' A' ' 93' ' ' ILE . . . -53.12 -32.48 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -18.52 37.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' CA ' HD21 ' A' ' 3' ' ' LEU . . . 106.99 31.39 3.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -123.35 126.4 46.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.64 111.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.81 160.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -80.38 -3.63 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.92 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 -172.93 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.2 167.06 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 HD23 ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -108.37 118.38 36.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.96 122.96 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 27' ' ' VAL . 2.6 tp -132.83 125.31 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD21 ' CG1' ' A' ' 88' ' ' VAL . 10.4 tp -96.13 116.98 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.49 156.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.16 122.31 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 96.2 m-85 -92.85 122.79 35.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.18 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.75 150.35 29.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -34.53 5.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -77.7 158.3 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.539 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 71.7 p -136.41 174.04 11.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.44 66.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -44.31 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -70.14 -37.01 75.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.587 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.2 m170 -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.57 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.86 -36.74 84.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HG ' ' CB ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -63.24 -45.69 90.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.76 -44.4 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -35.54 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.39 -37.87 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' CD1' HD13 ' A' ' 74' ' ' ILE . 1.7 mt -69.01 -36.72 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' GLY . 33.9 mt-10 -63.92 -29.25 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.74 -50.57 13.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.8 -43.25 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 11.2 mt -82.28 -14.77 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.23 18.45 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.427 HG11 ' C ' ' A' ' 69' ' ' GLY . 13.1 m -146.94 164.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -50.3 136.27 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.6 140.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' LEU . 3.5 t70 -122.17 114.29 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 60.0 mt -102.81 142.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.478 ' CG1' HD21 ' A' ' 80' ' ' LEU . 2.5 t -117.09 144.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' ARG . 12.7 p -114.97 120.55 40.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' SER . 1.0 OUTLIER -38.4 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.59 -51.79 68.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -66.15 -38.58 94.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.478 HD21 ' CG1' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -55.64 136.53 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.54 165.76 42.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 -25.01 49.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -36.45 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 7.3 ttm180 -52.75 -50.82 62.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.14 -42.87 70.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.35 -36.74 68.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 45' ' ' LEU . 39.6 t -64.85 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 8.9 mt -56.2 -45.92 79.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -23.31 9.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -103.8 -26.53 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -59.72 123.42 16.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 32' ' ' ALA . 2.2 pp -121.0 144.25 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.16 31.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.532 ' CG ' ' HB3' ' A' ' 10' ' ' ARG . 1.9 tm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 6' ' ' LEU . 6.3 ptm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -164.74 -176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.3 -46.33 67.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -46.31 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.14 -34.39 72.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -57.48 -39.17 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.36 64.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.49 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.568 ' CZ ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.1 -30.85 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.33 -46.72 76.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.53 -43.8 93.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.52 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.568 ' CG2' ' CZ ' ' A' ' 9' ' ' ARG . 9.9 t -67.15 -36.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.2 -38.62 91.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.03 -42.9 96.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 13' ' ' VAL . 4.3 pp -75.91 -31.67 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -56.61 -42.47 78.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.326 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -69.18 -33.06 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -73.76 -36.92 65.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.599 ' CD2' HD13 ' A' ' 60' ' ' LEU . 96.8 m-70 -84.79 5.34 28.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.49 72.29 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -140.61 108.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 17.3 m -97.19 -54.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -75.87 75.21 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -85.99 112.1 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.77 155.18 37.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.71 114.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CG ' HG12 ' A' ' 88' ' ' VAL . 19.6 p90 -122.36 147.99 45.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.71 -165.72 13.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.82 70.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.944 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG2' HD21 ' A' ' 42' ' ' LEU . 36.7 t -62.53 -34.98 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.35 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -2.21 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.89 31.94 25.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 3.6 tp10 -125.17 127.8 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.86 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.57 -179.93 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.05 -0.68 57.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -106.91 -7.21 17.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -112.76 -179.01 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.6 173.42 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD1' HD12 ' A' ' 44' ' ' LEU . 1.4 tm? -102.18 123.36 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -102.3 116.85 33.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.88 126.09 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.9 tp -98.36 115.22 27.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -127.64 158.16 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.426 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -128.13 120.33 27.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.719 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 88.4 m-85 -93.12 124.17 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.69 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.71 145.59 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.87 -20.5 46.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HE ' ' N ' ' A' ' 52' ' ' ARG . 2.3 mmp_? -76.7 126.23 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 0.806 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -109.78 174.08 6.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -27.13 58.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -44.52 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -71.21 -36.97 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.719 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 8.5 m170 -65.53 -50.2 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.552 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.14 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.8 mtm180 -68.93 -35.5 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' ' 20' ' ' HIS . 1.3 tp -66.17 -48.2 71.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -41.98 97.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -33.76 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -68.97 -37.53 78.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 64' ' ' LEU . 1.2 mt -70.79 -40.68 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 58.0 mt-10 -71.56 -27.13 62.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.79 -45.51 34.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -45.83 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.481 ' CD1' ' CZ ' ' A' ' 9' ' ' ARG . 41.6 mt -85.27 -10.09 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.46 19.34 4.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 m -127.86 -171.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -84.55 132.81 34.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 42' ' ' LEU . 51.4 t -133.74 145.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.04 113.29 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.48 HG22 ' CG2' ' A' ' 46' ' ' VAL . 6.9 mt -99.03 144.2 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.6 t -131.16 145.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 79' ' ' GLY . 62.1 p -109.47 123.91 50.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -42.6 -51.98 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.19 56.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -83.13 -20.17 61.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.0 mt -70.33 -174.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 84' ' ' LEU . . . -113.74 170.25 5.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -78.88 -24.39 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 3.4 mp -82.52 -46.93 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -53.1 -50.09 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.75 -41.07 85.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -71.88 -36.59 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.496 HG12 ' CG ' ' A' ' 28' ' ' PHE . 54.3 t -64.0 -50.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.1 mt -56.53 -38.42 71.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -26.75 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.21 -44.28 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.341 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 28' ' ' PHE . . . -43.76 140.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -139.57 128.8 13.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.476 HD12 ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.476 0.179 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 9.7 m-20 -103.6 145.78 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.09 -45.9 71.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -56.36 -41.54 76.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -73.48 -31.74 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 mm? -55.61 -35.7 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -43.45 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.33 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.523 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -34.86 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 9' ' ' ARG . 4.4 mtt-85 -66.31 -31.86 72.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -46.77 63.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -36.59 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 54.8 t -67.21 -35.04 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -60.62 -43.63 97.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -36.55 80.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.23 -39.52 59.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.457 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.67 -43.05 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.58 70.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -18.87 62.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.635 ' CD2' HD12 ' A' ' 60' ' ' LEU . 95.8 m-70 -100.0 6.65 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.627 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.08 -14.04 64.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 138.22 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -139.03 -47.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -69.31 58.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG2' ' CD1' ' A' ' 14' ' ' LEU . 24.7 m -67.58 104.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.62 154.79 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.0 t -112.28 122.12 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 88' ' ' VAL . 4.4 p90 -124.95 134.26 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.39 -160.33 14.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -30.98 64.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.26 -48.44 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -53.27 -35.55 60.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 6.45 24.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.67 48.8 11.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.9 mp0 -131.45 125.0 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 169.34 104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -166.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.17 17.95 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -151.3 22.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 173.56 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.27 151.75 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 51.6 tp -102.23 110.14 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.2 m-20 -91.4 119.62 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mp -132.01 125.66 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 9.7 tp -102.71 112.54 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -129.72 159.45 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -125.79 128.87 48.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 41.9 m-85 -90.39 115.94 27.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 16.1 pt-20 -79.63 -143.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.2 mt-10 -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.59 38.63 4.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.628 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -132.38 159.28 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 p -141.59 165.12 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -42.98 87.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -40.64 71.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -38.22 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.769 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m170 -59.52 -51.23 70.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.59 86.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -63.38 -34.2 77.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.635 HD12 ' CD2' ' A' ' 20' ' ' HIS . 3.6 tp -62.4 -37.99 87.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 6.5 tptp -64.71 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -40.83 92.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 16' ' ' LEU . . . -59.53 -37.16 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -70.29 -33.46 71.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 19.0 mt-10 -67.6 -32.21 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.31 -51.22 13.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.626 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -82.76 -4.58 58.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 39.64 28.03 0.12 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 69' ' ' GLY . 22.2 m -156.37 154.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -44.76 136.61 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 68' ' ' LEU . 5.8 t -133.32 143.61 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -120.02 110.36 16.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.476 HG21 ' CG2' ' A' ' 46' ' ' VAL . 14.0 mt -104.98 145.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 17.6 t -134.81 144.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.406 ' N ' HG12 ' A' ' 75' ' ' VAL . 59.3 p -104.66 120.87 42.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -41.33 -44.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.7 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.66 -33.52 66.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mt -56.29 172.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -106.75 170.84 5.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -79.3 -24.62 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -83.45 -49.34 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 17.5 ttm180 -53.88 -50.28 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -54.51 -40.9 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -71.89 -36.63 70.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.567 HG12 ' CD1' ' A' ' 28' ' ' PHE . 39.9 t -63.09 -45.71 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 18.4 mt -55.88 -38.86 70.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -25.24 11.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -110.18 -29.6 8.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.86 124.69 13.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.6 pt -122.99 142.73 38.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 134.02 17.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.529 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' CD2' ' A' ' 6' ' ' LEU . 5.2 ttm . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.468 0.175 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 14.9 m-20 -116.46 160.4 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -47.63 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -54.09 -40.42 67.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.3 m -76.59 -30.86 57.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -54.66 -35.85 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -43.57 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -52.57 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.17 -32.97 74.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -60.44 -48.74 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.92 -47.58 85.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.1 75.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 16.0 t -68.61 -34.58 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.97 -42.51 94.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -62.79 -46.22 89.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' HG ' ' HA ' ' A' ' 13' ' ' VAL . 4.2 pp -73.01 -35.44 66.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' ALA . 1.3 m -58.45 -42.07 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.98 84.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -73.71 -18.7 60.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 60' ' ' LEU . 8.6 m-70 -83.75 -34.61 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.3 -7.96 4.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -80.12 118.53 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.413 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 15.4 m -98.63 -49.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 8.2 mtt180 -96.07 86.67 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' CG1' HD22 ' A' ' 14' ' ' LEU . 1.9 t -92.66 113.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 94' ' ' PRO . 1.1 mtt180 -145.78 155.79 43.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 31' ' ' VAL . 2.0 t -102.64 124.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 3.1 p90 -124.11 133.61 53.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.97 -150.64 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -74.03 -31.57 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG13 ' CG1' ' A' ' 27' ' ' VAL . 55.7 t -58.61 -38.87 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.19 -43.32 67.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -79.54 -18.21 52.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.63 4.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 8.1 mt-10 -126.59 131.33 51.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 162.32 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HG3' ' CB ' ' A' ' 40' ' ' SER . 9.4 ptp180 -121.98 -177.5 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.55 -7.36 57.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -112.07 15.77 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 41' ' ' ASP . 37.0 t -129.53 11.56 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.7 OUTLIER 52.07 173.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -116.76 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 8.6 m-20 -75.95 111.86 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 42' ' ' LEU . 1.1 tp -131.21 125.42 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -104.14 112.39 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -131.03 159.83 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.15 120.62 34.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.712 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 91.0 m-85 -91.71 129.75 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.02 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.6 126.42 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.77 -13.24 20.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -76.3 127.06 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -111.9 171.14 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -28.49 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -41.7 98.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.6 -36.95 73.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.712 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 11.9 m170 -61.74 -50.2 73.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.532 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.64 91.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -63.49 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 3.9 tp -74.79 -43.61 53.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.05 -38.57 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -72.93 -34.44 66.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.63 91.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' CD2' HD12 ' A' ' 60' ' ' LEU . 2.2 mt -72.66 -29.05 63.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 4.3 mt-10 -66.65 -32.6 74.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.7 10.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.84 -45.84 87.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -81.85 -14.54 56.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 49.9 17.68 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG11 ' C ' ' A' ' 69' ' ' GLY . 14.2 m -138.9 168.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.97 137.25 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.506 ' CG2' HD22 ' A' ' 68' ' ' LEU . 45.6 t -133.74 130.6 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -122.61 109.55 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.629 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 31.4 mt -98.35 145.04 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 33.4 t -132.48 138.73 51.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 p -100.06 121.06 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -41.01 -30.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -53.67 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.44 -24.01 72.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mt -62.31 -177.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -109.72 166.56 10.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -45.32 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -79.22 -24.78 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.5 mt -83.46 -48.46 10.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 73.1 ttt180 -51.84 -50.09 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.46 -39.93 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.63 -35.94 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.75 -43.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 37.0 mt -55.54 -47.03 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -23.76 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' ALA . 4.5 mm-40 -100.02 -45.8 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.62 137.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.86 121.2 14.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.421 ' N ' ' HG2' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.549 ' CE ' ' CD1' ' A' ' 6' ' ' LEU . 1.1 tpt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.471 0.176 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -117.98 160.44 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 3.4 mm? -63.61 -46.62 84.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -43.85 72.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.17 -33.38 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' CD1' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -56.6 -38.29 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.439 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 7.7 mmm-85 -70.12 -42.94 71.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.94 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -63.1 -37.85 88.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.9 -46.97 87.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.545 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 5.6 t -66.61 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' CD1' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -62.72 -39.57 94.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -44.2 96.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' HG ' ' HA ' ' A' ' 13' ' ' VAL . 4.1 pp -74.13 -31.76 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -57.75 -42.54 84.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.51 -33.56 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -71.21 -41.13 70.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.533 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 74.8 m-70 -67.98 -34.47 76.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 120.97 42.35 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -114.53 117.09 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 4.3 m -96.32 -50.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.462 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -82.79 110.23 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG23 ' CD1' ' A' ' 14' ' ' LEU . 15.8 m -119.75 106.4 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -152.62 154.79 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.419 HG23 ' NH1' ' A' ' 10' ' ' ARG . 2.2 t -102.08 123.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 2.1 p90 -123.29 133.0 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.72 -160.0 14.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -32.96 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 32' ' ' ALA . 21.0 m -58.77 -45.8 91.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 31' ' ' VAL . . . -56.9 -38.11 72.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.85 0.62 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.78 37.57 13.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 5.7 mm-40 -123.27 125.62 45.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 162.07 109.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -172.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.56 -5.02 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -124.97 34.34 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.7 p -117.43 169.48 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.72 163.46 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -113.75 126.34 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 16.3 m-20 -104.7 125.49 50.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 42' ' ' LEU . 80.3 mt -134.58 125.27 26.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -103.55 112.45 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -123.05 159.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -120.73 120.27 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.63 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 71.7 m-85 -93.94 132.34 38.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.39 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.29 16.32 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 28.51 3.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 27.4 mmt180 -125.3 146.86 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 18.4 p -117.0 172.89 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -28.16 67.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -44.37 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.45 -36.94 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.63 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 10.5 m170 -59.37 -51.48 69.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -63.35 -38.75 92.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.533 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -72.46 -47.44 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 72' ' ' VAL . 1.2 tptm -57.31 -51.85 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.83 -36.02 82.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 59' ' ' ARG . . . -64.23 -39.79 94.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -72.21 -29.2 63.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.3 mt-10 -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -44.45 38.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -46.38 83.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD12 ' CZ ' ' A' ' 9' ' ' ARG . 3.4 mt -83.29 -14.56 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.04 20.11 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.0 m -141.75 149.76 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -40.14 135.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.501 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.4 t -133.25 143.19 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 111.87 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 61' ' ' LYS . 23.2 mt -102.22 137.31 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.494 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.3 t -120.1 145.54 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -114.62 131.32 56.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.17 -48.88 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -51.59 -54.42 27.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.4 -28.2 71.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -62.61 -175.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -116.34 169.93 6.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.33 -25.44 46.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.0 mt -83.39 -46.38 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 39.6 ttt180 -52.71 -51.29 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.24 -41.58 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.29 69.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.7 t -59.88 -42.55 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 9.7 mt -56.19 -37.55 69.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -23.01 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 4.5 mm-40 -105.42 -43.95 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.26 116.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -118.77 144.76 36.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 140.89 26.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.46 ' CE ' HD23 ' A' ' 68' ' ' LEU . 5.5 ptm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -149.16 161.75 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.7 mm? -57.67 -44.23 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.14 -44.9 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -62.34 -34.82 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -57.21 -44.25 83.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -70.99 -35.8 72.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -51.16 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.607 ' CZ ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.23 -30.9 68.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.62 -42.32 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.96 -46.56 87.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.83 -37.7 67.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.519 ' CG2' ' CZ ' ' A' ' 9' ' ' ARG . 20.2 t -66.01 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.5 -42.79 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -33.74 72.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.504 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -75.49 -42.46 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -57.4 -42.62 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.276 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.45 70.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -72.61 -20.06 61.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 96.3 m-70 -98.18 -4.38 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' C ' ' HA ' ' A' ' 48' ' ' PHE . . . 104.09 -13.29 52.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 17' ' ' CYS . . . -61.75 129.99 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -49.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.6 mtt180 -78.84 60.26 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -78.06 101.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -138.41 156.39 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 44' ' ' LEU . 2.5 t -102.22 119.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 1.9 p90 -124.66 131.21 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.07 15.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -30.95 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 42' ' ' LEU . 18.9 m -58.06 -42.47 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . . . -53.03 -36.79 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -18.34 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.73 33.25 4.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.38 125.1 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.78 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.57 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -49.9 178.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -13.87 60.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -111.44 39.45 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 19.3 m -142.92 169.61 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.31 178.92 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -115.19 116.61 28.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 71.7 m-20 -89.87 119.87 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' HG11 ' A' ' 27' ' ' VAL . 1.4 tp -135.53 125.13 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 80' ' ' LEU . 12.2 tp -99.3 113.51 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.596 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.6 OUTLIER -129.22 158.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -127.19 120.75 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 53.5 m-85 -88.48 125.45 34.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -124.61 177.69 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 71.98 -146.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.85 72.86 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -109.32 154.46 22.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 p -134.63 174.16 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -34.43 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -41.86 72.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -70.8 -37.4 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 10.6 m170 -59.07 -52.07 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.4 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.1 mmt85 -69.45 -34.02 73.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.514 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -64.63 -48.35 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -62.49 -45.79 91.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -67.66 -31.68 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -71.38 -45.83 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -42.2 95.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 75.2 mt-10 -67.77 -26.8 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -49.42 23.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.77 -46.04 87.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.607 ' CD1' ' CZ ' ' A' ' 9' ' ' ARG . 17.1 mt -85.12 -5.7 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.11 22.86 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 69' ' ' GLY . 18.2 m -134.45 -175.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -79.85 130.41 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 t -133.27 136.73 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.07 111.37 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 27.8 mt -97.29 143.93 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.524 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 16.8 t -125.48 144.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 p -109.6 131.91 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -48.52 -46.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -48.37 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.83 -4.73 55.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.524 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mt -88.16 -179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -102.59 164.37 15.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -25.12 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -83.32 -48.98 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.8 ttm180 -53.25 -50.92 63.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -54.74 -42.3 71.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -71.55 -37.05 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 28' ' ' PHE . 82.4 t -59.43 -37.03 67.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 55.2 mt -55.94 -44.55 78.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.26 -23.39 8.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 92' ' ' ALA . 4.6 mm-40 -103.1 -45.77 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -39.26 130.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.3 pt -127.59 121.29 22.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.493 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.421 ' SD ' HD22 ' A' ' 6' ' ' LEU . 1.5 ttm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.533 0.206 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.73 158.9 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.74 -45.86 92.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -65.32 -44.65 87.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.471 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 1.3 m -66.1 -35.31 80.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -54.41 -42.89 70.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HA ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.69 -28.32 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.66 44.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -78.88 -32.23 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.33 -37.24 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.2 -46.36 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -35.57 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.555 ' HA ' ' CG ' ' A' ' 16' ' ' LEU . 40.5 t -64.97 -34.33 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD23 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.52 -42.31 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -45.33 90.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.555 ' CG ' ' HA ' ' A' ' 13' ' ' VAL . 4.4 pp -73.64 -36.62 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 1.8 m -58.39 -41.26 84.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -67.98 -33.65 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -73.33 -18.13 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.536 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 83.2 m-70 -93.84 4.76 53.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.58 -24.73 29.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . -47.62 156.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -147.2 123.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 8.6 mmt180 84.58 -51.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.532 ' CG1' HD23 ' A' ' 14' ' ' LEU . 7.5 t 56.22 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -125.75 154.79 42.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.94 119.34 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.577 ' CD2' HG13 ' A' ' 88' ' ' VAL . 3.8 p90 -120.66 148.04 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.16 -164.23 20.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -72.51 -36.8 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 t -58.53 -36.01 57.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.3 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.8 -16.79 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.37 32.54 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.64 133.11 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 173.42 106.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -54.91 177.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.8 -1.0 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.09 21.87 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.461 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 8.6 t -97.64 156.25 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 172.74 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 tp -115.14 111.17 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.67 125.68 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' CG1' ' A' ' 72' ' ' VAL . 65.3 mt -132.12 126.22 33.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -100.39 112.14 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -132.12 153.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.458 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -128.5 120.54 26.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.485 ' HB3' ' HG2' ' A' ' 52' ' ' ARG . 34.0 m-85 -90.15 127.88 36.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -100.01 -162.1 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 5.5 tt0 49.7 -150.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.76 84.54 0.36 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -110.01 156.43 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -113.06 168.93 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.71 -30.04 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -44.05 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -69.76 -38.05 76.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 21.0 m170 -63.47 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.74 82.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -69.53 -34.1 73.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.536 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -61.53 -49.55 76.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.8 -43.99 86.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -36.68 81.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.31 -36.42 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 64' ' ' LEU . 1.4 mt -71.13 -44.06 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.3 mt-10 -65.18 -28.65 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.93 -48.86 19.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.23 -45.84 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -82.31 -15.0 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.97 20.48 1.92 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.436 HG13 ' C ' ' A' ' 69' ' ' GLY . 18.0 m -136.38 157.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.86 128.37 20.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.438 ' CG2' HD13 ' A' ' 68' ' ' LEU . 91.1 t -133.82 139.54 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -120.53 109.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.478 HG23 ' CG2' ' A' ' 46' ' ' VAL . 88.7 mt -93.49 144.97 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' CG1' HD23 ' A' ' 80' ' ' LEU . 2.3 t -125.89 143.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLY . 4.4 p -107.63 120.83 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.436 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 29.2 mt-10 -42.73 -35.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -42.36 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -74.85 -37.23 45.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.466 HD23 ' CG1' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -59.68 140.23 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.69 170.53 13.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -25.26 53.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.471 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -82.79 -35.82 26.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -53.29 -49.99 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.89 -41.26 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.75 -36.98 70.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.577 HG13 ' CD2' ' A' ' 28' ' ' PHE . 45.0 t -64.9 -49.32 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.7 mt -58.17 -41.24 83.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -53.63 -26.89 24.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.58 -37.02 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.25 135.45 56.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.2 pt -126.75 132.61 24.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.78 9.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD23 ' CG ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.486 ' HG3' ' CD2' ' A' ' 6' ' ' LEU . 2.2 ttm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.524 0.202 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 1.3 m-20 -108.2 161.18 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.22 -46.21 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 -43.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -68.5 -32.4 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.567 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -55.53 -49.03 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.87 41.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.669 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -75.77 -30.29 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.669 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -57.99 -33.07 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -47.68 60.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.08 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 73.3 t -58.52 -43.93 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -57.92 -43.08 86.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.77 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.75 -40.64 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.514 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 1.2 m -58.39 -41.38 84.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.62 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -33.48 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.515 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 43.5 m-70 -80.27 -11.79 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.35 26.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -70.57 104.34 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.71 -41.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -83.71 62.29 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 38.4 t -82.25 112.35 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB3' ' CA ' ' A' ' 94' ' ' PRO . 6.1 ptm180 -151.5 155.5 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.46 ' CG1' HD13 ' A' ' 44' ' ' LEU . 1.2 t -105.21 122.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 13.0 p90 -121.84 140.4 52.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.34 -151.5 17.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.411 ' OG ' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -72.65 -31.15 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 ' CG1' ' A' ' 27' ' ' VAL . 26.4 m -58.83 -45.48 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.427 ' N ' HG22 ' A' ' 31' ' ' VAL . . . -55.5 -33.61 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -82.78 -17.26 44.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.23 29.85 6.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' OG ' ' A' ' 30' ' ' SER . 5.8 tp10 -123.8 127.68 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.42 86.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 168.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.72 -9.04 40.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.53 -2.13 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.11 175.29 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.51 178.07 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 2.5 tm? -101.85 116.64 33.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.3 m-20 -94.88 116.37 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD13 ' CG1' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -130.84 125.57 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' CD2' ' CD1' ' A' ' 80' ' ' LEU . 2.6 tp -99.65 113.05 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.625 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -123.86 158.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.46 121.23 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 57.1 m-85 -92.66 120.54 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLU . 12.5 pt-20 -81.12 -167.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . 5.2 tt0 38.01 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.33 75.12 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.16 148.91 30.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.456 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 75.5 p -96.95 165.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -28.81 69.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -44.29 82.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.3 -37.07 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 13.7 m170 -61.13 -50.54 72.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.565 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -65.5 -36.21 83.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -63.57 -40.2 96.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.515 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -58.89 -44.82 91.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 3.1 tptm -57.26 -52.2 66.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 58' ' ' ALA . 6.4 mp -60.55 -29.21 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 16' ' ' LEU . . . -71.14 -41.93 69.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 74' ' ' ILE . 2.6 mt -68.77 -42.35 77.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -58.6 -36.12 73.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.3 -49.73 14.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -45.4 85.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 9' ' ' ARG . 5.8 mp -81.6 -13.86 57.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.11 20.94 2.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ARG . 18.0 m -147.58 148.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -36.84 133.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG23 ' CD2' ' A' ' 68' ' ' LEU . 54.8 t -133.38 138.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -121.56 111.33 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.625 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.5 mt -102.6 142.75 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.4 t -131.62 145.74 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 p -106.94 122.86 47.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 53.8 mt-10 -42.35 -43.15 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -55.31 -49.78 71.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.77 -28.05 73.4 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.561 1.163 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.2 mt -59.89 -178.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -105.37 165.1 13.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -25.41 45.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.84 -43.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 43.3 ttt180 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.87 -42.89 76.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -37.82 70.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 28' ' ' PHE . 56.1 t -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 9.6 mt -55.82 -38.12 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -23.39 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.56 -43.29 3.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' PHE . . . -44.72 128.59 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -126.48 114.18 23.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.481 ' CA ' ' HB3' ' A' ' 26' ' ' ARG . 18.4 Cg_endo -74.96 116.01 4.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 14' ' ' LEU . 2.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.529 ' HE1' ' CD2' ' A' ' 68' ' ' LEU . 4.8 mtp . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.55 0.214 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -146.88 154.51 41.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.6 -46.86 86.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -44.66 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -33.9 72.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.03 -35.45 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.568 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 10.3 mtt-85 -62.26 -33.49 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.1 -47.99 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.49 -35.52 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 37.7 t -67.28 -36.31 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD23 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -57.4 -43.7 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.86 -40.74 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.513 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -56.62 -39.5 73.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.52 76.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -67.61 -38.06 83.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 53.1 m-70 -71.56 -28.95 64.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 130.84 -15.28 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.98 114.27 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 24' ' ' ARG . 31.2 m -101.91 -43.55 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' N ' HG23 ' A' ' 23' ' ' VAL . 24.9 mtp180 -98.24 80.4 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG1' HD23 ' A' ' 14' ' ' LEU . 2.7 t -88.56 104.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -137.65 155.42 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.82 125.5 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 9.9 p90 -123.66 140.79 52.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.66 -151.13 18.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -37.71 67.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG11 ' CD2' ' A' ' 42' ' ' LEU . 77.8 t -58.55 -33.96 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -30.33 67.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -13.28 28.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.61 28.05 6.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.96 133.87 55.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.46 95.31 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -40.59 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.32 -2.57 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.99 17.81 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 37' ' ' ARG . 1.1 m -103.55 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.97 159.23 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -80.32 116.96 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 77.0 m-20 -99.59 120.57 39.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 42' ' ' LEU . 1.1 tp -135.58 125.4 25.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -99.07 111.79 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -123.0 157.57 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.58 121.05 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.75 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 31.8 m-85 -91.82 138.81 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 35.7 mt-10 -54.39 -162.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.83 1.52 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.54 42.01 1.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.561 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -129.93 138.96 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -89.44 149.97 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -29.28 64.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -42.39 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.64 -36.92 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 15.1 m170 -58.66 -51.86 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.0 85.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' ALA . 24.5 mtt-85 -66.38 -34.01 77.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -57.65 -39.78 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -65.29 -48.65 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -31.3 71.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -69.82 -39.63 76.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -71.99 -34.57 69.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.9 mt-10 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.45 -51.17 13.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.19 -43.81 93.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.529 ' CD2' ' HE1' ' A' ' 1' ' ' MET . 6.8 mt -82.06 -14.6 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.59 21.78 0.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.436 HG12 ' C ' ' A' ' 69' ' ' GLY . 23.4 m -141.29 157.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -45.59 123.72 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 68' ' ' LEU . 54.8 t -134.16 138.92 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 72' ' ' VAL . 8.8 t0 -121.74 131.61 54.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.502 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 72.0 mt -118.02 145.17 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 38.9 t -125.31 145.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -104.63 127.95 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.443 ' CG ' HD11 ' A' ' 45' ' ' LEU . 16.0 mt-10 -48.92 -37.29 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -50.79 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.3 65.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 mt -66.19 -175.52 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -111.22 166.74 10.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -44.43 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -78.24 -26.02 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 24.9 mt -83.51 -45.79 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 20.5 ttt-85 -52.92 -50.81 63.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.14 -41.11 71.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -36.78 69.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 60.5 t -65.0 -50.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.3 mt -56.8 -25.92 56.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -71.07 -23.18 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 11.0 mm-40 -107.48 -44.8 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.04 135.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 91' ' ' GLU . 9.8 pt -135.28 147.87 63.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.89 23.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.574 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.482 ' CE ' HG21 ' A' ' 70' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.401 ' O ' HD23 ' A' ' 6' ' ' LEU . 55.7 m-20 -121.75 152.9 38.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.81 -47.15 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.13 -45.28 71.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 1.2 m -71.79 -31.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -52.54 -40.25 62.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.94 70.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.28 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -71.33 -36.69 71.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.41 -37.22 72.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.38 -46.89 87.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.77 70.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 64' ' ' LEU . 24.4 t -66.93 -37.15 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HG ' ' CD1' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -59.12 -43.41 91.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -33.16 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.52 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -75.29 -38.89 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -56.17 -42.46 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.3 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.28 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -73.0 -26.51 61.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.602 ' CD2' HD11 ' A' ' 60' ' ' LEU . 6.3 m-70 -81.97 5.12 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.97 -25.18 24.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . -43.67 158.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -147.03 -49.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 2.8 mmt85 -110.48 65.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 24.1 t -70.75 125.91 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 mtt180 -151.97 155.32 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 p -116.86 119.56 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CD2' HG11 ' A' ' 88' ' ' VAL . 15.4 p90 -122.9 148.01 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -157.91 16.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG11 ' CG ' ' A' ' 42' ' ' LEU . 44.2 t -58.77 -38.26 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -29.99 67.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -89.63 -13.77 36.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.14 37.9 3.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -129.35 125.81 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -174.97 -165.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 174.68 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -18.15 41.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -110.29 62.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.05 -174.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.73 163.64 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -113.84 118.97 35.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 3.0 m-20 -79.93 112.94 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.5 mt -118.87 124.85 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 22.3 tp -96.18 116.36 28.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 25' ' ' VAL . 9.3 m -133.76 159.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -128.12 121.34 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 71.1 m-85 -92.25 128.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.13 -164.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -92.72 127.43 38.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -23.31 9.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -77.02 148.12 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.1 p -129.74 172.71 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -31.21 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -44.06 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -68.81 -36.64 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 13.3 m170 -58.59 -45.67 88.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.64 84.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -69.67 -35.04 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.602 HD11 ' CD2' ' A' ' 20' ' ' HIS . 5.1 tp -70.25 -48.07 58.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.87 -49.06 77.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.61 -33.71 76.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.88 78.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.485 ' CD2' HD21 ' A' ' 16' ' ' LEU . 2.8 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 39.1 mt-10 -67.79 -30.09 69.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.51 -51.22 17.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -65.64 -46.34 79.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 2.6 mp -82.61 -1.85 52.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 37.35 30.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 69' ' ' GLY . 24.3 m -157.13 158.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -45.47 138.16 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.426 ' CG2' HD21 ' A' ' 68' ' ' LEU . 53.7 t -133.2 135.7 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.73 112.74 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 61' ' ' LYS . 87.0 mt -101.73 144.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 80' ' ' LEU . 1.3 t -130.12 142.44 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 90.8 p -111.33 126.14 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.59 -51.32 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -38.27 6.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -75.82 -38.29 36.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -61.42 138.41 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.14 167.05 19.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -76.61 -26.44 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 17.5 mt -81.86 -34.11 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 23.3 ttm180 -54.37 -50.54 67.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.71 -42.67 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.31 -36.51 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 28' ' ' PHE . 65.3 t -65.62 -49.72 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 17.4 mt -56.36 -37.42 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -53.55 -23.8 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.87 -29.89 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -54.56 121.07 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.6 pt -125.19 147.44 57.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 116.77 4.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 2.4 tm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.49 ' HE2' ' CD2' ' A' ' 68' ' ' LEU . 10.6 ptm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.438 0.161 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 171.62 -179.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.8 mm? -61.2 -45.3 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.63 -46.11 77.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.79 -34.02 71.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -57.28 -44.94 84.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -64.54 -33.87 76.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -51.24 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.578 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -73.1 -32.7 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 11.4 mmt180 -58.58 -33.14 69.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.27 -48.37 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.39 64.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 17' ' ' CYS . 12.0 t -67.85 -35.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -59.22 -44.94 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -33.79 70.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.8 -39.02 57.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -55.66 -43.85 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.89 72.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -19.87 63.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.615 ' CD2' HD13 ' A' ' 60' ' ' LEU . 97.5 m-70 -102.84 1.15 33.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 101.6 -24.61 30.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 17' ' ' CYS . . . -50.07 129.96 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -133.36 -50.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -77.23 63.53 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -67.75 112.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.66 153.32 34.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG11 ' CD2' ' A' ' 44' ' ' LEU . 1.5 t -107.86 122.32 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.2 p90 -123.11 135.44 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.13 -159.82 14.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -30.51 64.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.439 ' CG1' HD12 ' A' ' 42' ' ' LEU . 30.1 m -57.82 -48.93 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.71 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 9.5 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.62 50.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -130.43 126.51 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 171.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.41 -2.56 49.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -122.47 27.57 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -120.83 166.48 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.53 179.81 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 68.7 tp -115.73 110.01 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.87 119.04 27.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 27' ' ' VAL . 91.9 mt -125.69 129.44 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 18.3 tp -102.0 113.61 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG2' HG22 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -136.32 150.52 27.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -129.51 123.76 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.79 ' CE1' ' CE1' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -92.48 144.18 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 5.7 pt-20 -84.92 -151.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 51' ' ' GLY . 4.4 tt0 -85.08 158.99 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 50' ' ' GLU . . . 94.51 -32.15 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.484 ' HG2' ' CB ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -76.08 157.63 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 p -135.3 175.0 9.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -34.74 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.01 -42.99 73.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.25 -36.42 81.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 9.7 m-70 -59.05 -52.45 65.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.74 -39.89 80.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -62.88 -43.54 98.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -58.34 -37.92 76.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 2.4 tptm -66.1 -51.99 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.56 -47.54 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.29 -40.76 91.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 69' ' ' GLY . 63.7 mt-10 -72.57 -27.36 62.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.57 35.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.28 -46.39 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.76 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.571 ' CD1' ' CZ ' ' A' ' 9' ' ' ARG . 11.2 mt -87.31 -8.19 56.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.37 20.77 2.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.42 178.62 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -76.35 128.47 34.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.4 t -133.82 145.0 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -115.17 113.99 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.488 HG22 ' CG2' ' A' ' 46' ' ' VAL . 20.8 mt -103.13 145.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -131.64 145.75 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 p -107.87 120.89 43.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' CG ' HD11 ' A' ' 45' ' ' LEU . 22.5 mt-10 -42.32 -37.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -54.63 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.14 91.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' CD2' HG11 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -56.39 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -45.15 161.74 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.08 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -75.73 -27.23 58.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.84 -33.08 27.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 47.2 ttp180 -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.72 -41.96 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.56 -36.35 68.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 45' ' ' LEU . 47.0 t -69.97 -45.87 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 93.6 mt -56.18 -49.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -22.88 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.06 144.82 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.6 pt -138.16 132.29 16.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.89 11.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.48 ' CE ' HD21 ' A' ' 68' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.495 0.188 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -154.88 159.26 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 4.2 mm? -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -64.63 -38.39 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -41.96 92.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 mt -57.02 -43.27 81.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -63.07 -40.47 97.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -51.38 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.641 ' CZ ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.45 -29.35 67.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -56.47 -42.75 78.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -48.39 81.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.99 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 17' ' ' CYS . 31.4 t -65.04 -42.57 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -57.63 -43.54 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -38.72 91.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.62 -38.94 53.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.1 m -57.63 -42.28 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -27.03 60.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -97.42 6.01 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.674 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 80.59 74.6 1.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 17' ' ' CYS . . . -156.76 89.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 m -89.87 -34.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.28 54.25 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 22.0 t -71.11 74.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.53 155.12 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG12 ' CG1' ' A' ' 93' ' ' ILE . 1.5 p -107.23 117.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.6 p90 -122.97 147.83 46.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.5 -170.88 13.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -35.65 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 42' ' ' LEU . 9.2 m -59.02 -35.09 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.33 77.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.25 9.2 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.65 12.08 84.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.37 125.51 35.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.39 148.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -125.85 -175.58 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.81 -1.31 30.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.38 42.97 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p -126.36 176.54 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.26 174.48 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.493 ' CD2' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -114.91 121.04 41.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -105.07 114.05 28.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CG ' HD11 ' A' ' 42' ' ' LEU . 15.1 mt -131.37 127.65 38.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 18.9 tp -97.89 121.85 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.616 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -130.63 158.88 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.5 124.32 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.679 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 31.2 m-85 -92.87 117.3 29.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.8 pt-20 -93.96 -157.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 6.0 tt0 38.87 -147.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.53 90.43 0.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.797 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.6 160.12 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 61.1 p -129.49 173.95 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -28.04 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -45.09 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -37.78 72.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.679 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 14.1 m170 -60.43 -50.22 74.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.645 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.44 82.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -68.54 -37.78 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 16' ' ' LEU . 3.2 tp -58.27 -50.19 74.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.49 -44.51 89.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -31.98 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.84 -43.1 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.438 ' CD2' HD21 ' A' ' 16' ' ' LEU . 1.1 mt -65.08 -40.0 94.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.4 mt-10 -68.96 -26.86 65.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -45.06 45.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' CD2' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -63.6 -46.38 86.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.641 ' CD1' ' CZ ' ' A' ' 9' ' ' ARG . 13.1 mt -90.33 1.87 56.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 38.72 29.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 68' ' ' LEU . 22.2 m -132.84 -171.5 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -90.18 128.73 36.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.91 143.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -118.75 111.44 18.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.616 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 6.2 mt -96.14 143.83 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -127.45 146.41 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' GLY . 3.8 p -107.17 123.04 47.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -41.43 -51.97 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.21 65.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.64 -28.51 65.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.49 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 mt -62.81 -176.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -108.59 166.45 10.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -78.61 -25.7 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -82.94 -48.13 11.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -52.64 -51.22 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.32 -43.1 70.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.69 -36.91 67.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 96.3 t -59.93 -39.4 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 34.6 mt -56.03 -45.32 79.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -53.92 -23.99 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -100.95 -49.05 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.15 137.42 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.421 ' CG1' HG12 ' A' ' 27' ' ' VAL . 37.7 pt -134.26 131.35 20.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.459 ' CE ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.488 0.185 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -138.26 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 4.5 mm? -70.25 -46.47 64.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.37 -46.02 78.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -61.45 -32.49 72.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -62.22 -47.78 82.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.2 mmt85 -56.17 -31.93 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.63 -55.08 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.656 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.81 -31.03 51.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.656 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -57.93 -30.14 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.82 -48.18 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.18 65.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 89.2 t -65.36 -40.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -57.92 -43.01 85.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -37.1 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.558 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.05 -36.57 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -56.3 -42.57 77.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.29 -33.17 71.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -65.33 -19.44 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 63.8 m-70 -93.55 -31.98 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.67 -14.67 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 107.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.09 -43.38 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -86.56 81.23 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -91.18 113.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.53 152.33 32.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 21.0 t -103.98 122.07 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 2.8 p90 -124.91 133.41 53.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.32 -157.77 16.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -29.74 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 t -57.42 -48.61 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -61.0 -31.77 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -80.87 -14.57 57.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.99 43.3 2.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -137.39 127.4 25.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 175.45 125.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -175.08 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.3 -0.73 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -113.97 10.12 17.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -122.94 168.61 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.35 175.93 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 12.3 tp -110.37 111.91 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 16.4 m-20 -86.38 115.18 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD12 ' NH2' ' A' ' 10' ' ' ARG . 85.1 mt -133.55 126.85 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -103.74 113.55 27.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -123.71 158.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -125.15 122.09 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 92.1 m-85 -92.55 122.03 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.21 -168.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 42.15 -154.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.75 65.53 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -78.4 137.85 38.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -104.43 170.96 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -42.75 74.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -70.15 -37.0 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 15.0 m170 -60.37 -48.95 79.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.43 75.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -63.02 -39.04 93.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -74.29 -41.45 61.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.88 -39.77 94.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.506 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -73.05 -34.63 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.06 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -70.0 -37.33 75.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 10.8 mt-10 -66.17 -32.53 74.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.47 -49.5 19.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.54 -44.79 89.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.481 ' CD2' ' HD3' ' A' ' 9' ' ' ARG . 6.0 mt -82.02 -14.21 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.78 20.22 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 68' ' ' LEU . 20.7 m -142.96 161.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -51.79 132.69 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 68' ' ' LEU . 78.8 t -133.6 136.4 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -112.39 114.09 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.484 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 4.3 mt -106.43 143.32 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.481 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 42.9 t -131.17 145.05 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -108.22 121.8 45.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -40.42 -29.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' SER . 7.0 ttt180 -68.6 -54.77 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.69 -18.37 63.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -67.39 -175.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -118.48 172.16 4.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -25.0 45.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 1.3 mp -82.99 -48.22 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 13.4 ttp180 -52.7 -50.5 63.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.35 -42.86 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.4 -37.33 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 28' ' ' PHE . 59.0 t -63.06 -49.09 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.433 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -56.14 -37.45 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -22.96 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 92' ' ' ALA . 8.8 mm-40 -109.38 -42.05 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -39.06 115.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 pt -117.95 129.33 25.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 10' ' ' ARG . 1.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.455 ' HE3' ' CD1' ' A' ' 6' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.478 0.18 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.472 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 30.4 t0 -118.51 169.49 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.0 mm? -63.57 -46.53 85.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -36.8 63.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -79.01 -31.95 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -56.25 -55.06 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 1.3 ptm180 -68.86 -29.33 67.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.449 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -68.21 -49.01 63.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.578 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -69.42 -31.99 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.35 -31.23 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.08 -48.34 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.84 -36.2 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.54 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 3.3 t -67.89 -34.71 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -61.87 -40.96 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -44.82 96.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 4.3 pp -75.19 -30.01 60.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -71.11 -33.03 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.62 -40.93 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 89.9 m-70 -75.25 -33.32 61.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.18 54.13 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -124.43 133.15 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' VAL . 5.6 m -120.45 -158.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 5.8 mmt85 37.37 31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.509 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 3.4 m -49.14 103.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -152.46 155.55 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.12 122.93 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CG ' HG22 ' A' ' 88' ' ' VAL . 4.6 p90 -123.0 147.88 46.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.83 -169.8 13.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -37.44 80.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.25 -34.16 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.76 -42.42 88.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -1.44 37.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.48 37.68 9.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -119.93 125.68 49.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 173.73 122.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.39 -174.98 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.26 -2.35 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -130.61 23.13 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.421 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 2.4 t -98.56 155.61 17.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -95.24 165.97 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -114.09 131.41 56.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.68 118.95 38.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.45 125.9 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' CD1' ' HG3' ' A' ' 77' ' ' GLU . 1.2 tp -100.15 114.88 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.475 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.56 130.94 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.67 123.14 39.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.789 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 54.1 m-85 -92.27 117.72 30.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.18 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -82.04 144.64 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.09 -24.31 30.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HD3' ' A' ' 52' ' ' ARG . 15.0 mmt180 -76.76 141.22 40.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.527 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 76.7 p -129.27 173.29 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.405 HD21 ' ND1' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -54.97 -32.27 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -43.12 72.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.85 -36.83 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.5 m170 -59.31 -52.07 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.41 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 11.5 mmt85 -63.56 -36.74 84.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -75.9 -46.02 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.517 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.94 -40.97 81.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.517 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -73.8 -37.11 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.92 79.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.436 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -70.84 -37.09 73.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' GLY . 45.1 mt-10 -69.52 -27.09 64.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.89 -44.28 47.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.7 -45.31 90.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD12 ' CZ ' ' A' ' 9' ' ' ARG . 4.2 mt -83.22 -14.59 52.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 53.88 17.6 7.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.99 176.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.79 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.04 133.14 50.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.458 ' CG2' HD13 ' A' ' 68' ' ' LEU . 38.5 t -133.68 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 110.88 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 42.3 mt -99.84 142.19 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 18.5 t -126.59 145.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 2.3 p -106.34 122.04 45.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 45' ' ' LEU . 9.4 mt-10 -43.98 -34.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -68.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.71 -22.1 8.01 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.4 mt -60.54 -175.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -111.16 168.55 7.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -45.16 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -79.02 -24.65 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -43.29 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 88' ' ' VAL . 57.5 ttt180 -54.99 -50.04 69.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -63.37 -37.64 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -72.57 -40.25 66.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.541 HG22 ' CG ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.39 -48.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 2.4 mt -53.44 -51.4 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -52.6 -23.97 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.7 -31.68 12.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -58.37 132.29 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.3 pt -119.37 147.55 43.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.5 23.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.405 ' CE ' ' HE ' ' A' ' 9' ' ' ARG . 84.9 mmm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.517 0.199 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -165.76 156.9 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 4.2 mm? -62.04 -45.73 92.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -67.01 -39.52 87.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.528 ' CD2' ' CZ ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -55.83 -36.13 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -73.39 -39.05 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -51.6 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.54 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.31 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.88 -39.98 93.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.28 -48.14 82.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' CYS . 3.8 t -63.92 -35.17 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -63.61 -44.1 94.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -35.66 72.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.52 -43.93 46.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.57 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.7 m -58.72 -41.56 86.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.0 74.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.36 63.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.57 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 30.5 m-70 -92.33 -6.14 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.89 -22.19 21.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.07 118.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ALA . 1.3 m -113.51 -37.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.65 52.8 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 14' ' ' LEU . 14.2 p -67.94 107.15 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -152.36 156.4 39.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.487 HG11 ' CA ' ' A' ' 32' ' ' ALA . 2.4 t -102.12 118.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 2.6 p90 -122.86 134.3 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.91 -157.75 14.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -31.62 65.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.416 HG21 ' CG1' ' A' ' 27' ' ' VAL . 30.6 m -58.74 -48.39 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' CA ' HG11 ' A' ' 27' ' ' VAL . . . -53.61 -33.09 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 9.49 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.76 42.67 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.97 129.99 24.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.31 94.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.99 158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.94 -4.11 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.315 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.5 6.23 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -106.28 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . 6.0 m-20 -109.87 -174.21 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' CD2' HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -112.05 123.4 50.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -97.84 131.07 44.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 42' ' ' LEU . 85.6 mt -135.22 126.54 28.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 7.2 tp -96.71 113.55 25.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -136.74 153.75 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' VAL . . . -127.92 121.02 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.717 ' CD1' ' NE2' ' A' ' 57' ' ' HIS . 22.1 m-85 -91.25 132.84 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 pp20? -100.23 162.99 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -36.81 133.04 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.76 -1.1 12.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -133.04 161.25 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 p -136.24 175.84 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -26.98 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -43.87 95.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.717 ' NE2' ' CD1' ' A' ' 48' ' ' PHE . 6.5 m170 -56.85 -52.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -68.55 -41.55 79.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.99 -43.85 97.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -57.62 -38.11 74.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 2.5 tptm -59.92 -52.24 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -57.73 -40.77 80.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . . . -58.93 -35.96 73.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.492 ' CD2' HD23 ' A' ' 16' ' ' LEU . 2.9 mt -72.11 -46.18 57.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 36.2 mt-10 -57.05 -26.87 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 -51.32 8.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.05 -42.91 62.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.54 ' HG ' ' CZ ' ' A' ' 9' ' ' ARG . 9.0 mp -79.43 -10.86 59.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 65' ' ' GLU . . . 43.5 23.89 0.35 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 15.7 m -155.37 154.86 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -40.67 135.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 3.7 t -133.76 139.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -120.96 110.59 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.477 HG23 ' CG2' ' A' ' 46' ' ' VAL . 64.3 mt -96.59 144.77 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.47 ' CG1' HD22 ' A' ' 80' ' ' LEU . 2.4 t -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' GLY . 24.3 p -112.36 122.05 46.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.2 -43.23 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.11 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.45 -38.92 51.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -58.12 144.69 39.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.05 166.19 46.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -77.33 -25.35 51.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -82.96 -34.19 26.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 20.3 ttt180 -53.24 -50.24 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -54.62 -41.46 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -72.16 -36.74 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 40.7 t -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 16.2 mt -56.43 -44.21 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -53.59 -23.95 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -102.99 -38.15 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.0 123.73 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.3 pp -121.98 125.83 26.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.503 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 68' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.481 0.181 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.06 166.29 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -65.11 -47.69 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.7 -44.33 90.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.43 HG23 ' NH2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -69.87 -32.86 71.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.438 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.28 -42.35 86.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.485 ' HA ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.01 -28.65 62.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -56.17 25.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.686 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -78.28 -31.73 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.686 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.55 -34.1 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 -45.11 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.666 ' N ' ' O ' ' A' ' 9' ' ' ARG . 73.0 t -55.68 -45.28 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 HD21 ' CG1' ' A' ' 25' ' ' VAL . 6.9 mt -58.2 -43.85 87.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -36.76 85.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -76.96 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -54.45 -41.75 69.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.323 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -20.02 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' CD2' HD13 ' A' ' 60' ' ' LEU . 75.2 m-70 -93.63 -8.96 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.64 -19.43 21.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' ALA . . . -56.1 111.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 HG21 ' CB ' ' A' ' 47' ' ' ALA . 18.0 m -103.5 -53.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.59 72.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.509 ' CG1' HD21 ' A' ' 14' ' ' LEU . 19.7 m -73.66 99.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.57 155.93 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 44' ' ' LEU . 2.0 t -108.3 123.78 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.0 p90 -125.11 135.12 52.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.87 -156.88 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -30.31 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 42' ' ' LEU . 74.2 t -57.03 -49.2 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' CB ' HG12 ' A' ' 93' ' ' ILE . . . -57.49 -32.93 67.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -10.29 59.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.04 9.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.3 mm-40 -124.66 125.87 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 170.08 93.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -175.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.9 1.72 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.39 -1.99 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.7 t -90.38 170.83 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.17 173.2 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 31' ' ' VAL . 1.8 tm? -115.16 115.47 26.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.418 ' N ' HD21 ' A' ' 42' ' ' LEU . 3.2 m-20 -98.24 117.26 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 27' ' ' VAL . 1.1 tp -129.51 125.76 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -100.43 111.78 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.413 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 1.1 m -129.99 159.52 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.472 ' CB ' HG21 ' A' ' 23' ' ' VAL . . . -117.99 125.45 50.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.637 ' CD2' ' NE2' ' A' ' 57' ' ' HIS . 38.6 m-85 -92.29 117.76 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' CG1' ' A' ' 23' ' ' VAL . 6.2 mm-40 -44.76 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.03 111.36 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.83 -11.65 5.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.88 136.95 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -105.8 164.39 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -27.76 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -42.86 79.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 m-20 -70.27 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.637 ' NE2' ' CD2' ' A' ' 48' ' ' PHE . 11.9 m170 -59.23 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.34 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -66.22 -38.55 88.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' ' 20' ' ' HIS . 8.6 tp -61.87 -51.45 68.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.51 -48.06 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.18 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.52 -41.72 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD13 ' CG1' ' A' ' 13' ' ' VAL . 4.1 mt -70.92 -35.39 72.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' GLY . 46.3 mt-10 -66.26 -26.26 67.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.32 -51.02 18.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -65.92 -42.35 90.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.529 ' CD2' ' CD ' ' A' ' 9' ' ' ARG . 1.6 mt -81.42 -15.46 55.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.82 21.69 2.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.06 150.87 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -39.78 127.81 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 65' ' ' GLU . 39.3 t -133.5 132.51 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -113.44 133.5 55.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.493 ' CD1' ' HG ' ' A' ' 60' ' ' LEU . 57.5 mt -120.52 143.01 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 25.4 t -120.44 141.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 85.0 p -106.5 120.7 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -40.6 -38.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -62.16 -51.28 68.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 -19.19 67.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.5 mt -67.85 173.53 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -105.32 168.43 8.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.29 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.85 -25.57 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.0 mt -83.41 -44.95 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 46.0 ttt180 -52.26 -50.61 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.38 -40.91 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -72.05 -36.22 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.426 HG12 ' CG ' ' A' ' 28' ' ' PHE . 41.7 t -62.93 -46.09 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.45 -43.07 75.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -54.0 -23.66 14.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 2.9 mm-40 -104.24 -39.62 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.47 127.57 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 32' ' ' ALA . 1.8 pp -134.74 148.17 66.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 140.89 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.516 ' HG ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 0' ' ' HIS . 13.6 m 68.8 154.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' -1' ' ' SER . 2.3 t-80 90.21 7.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.586 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' CE ' HG23 ' A' ' 70' ' ' VAL . 1.6 ttm -40.01 124.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -128.75 152.55 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.466 ' CD2' ' HA2' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -56.17 -46.2 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.63 -37.64 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 1.2 m -78.71 -33.38 46.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.67 -39.84 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -31.92 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.61 -52.6 64.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.512 ' CD ' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -76.0 -33.73 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.495 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.84 -33.73 67.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -47.7 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.48 -39.85 67.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' HA ' ' CG ' ' A' ' 16' ' ' LEU . 52.4 t -59.47 -37.45 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.24 -42.22 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -43.94 97.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' CG ' ' HA ' ' A' ' 13' ' ' VAL . 4.3 pp -75.35 -35.49 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.4 m -59.08 -40.91 86.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.524 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 77.6 m-70 -67.71 -36.59 80.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.17 57.01 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.31 108.12 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 18.0 m -93.18 -53.41 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.7 OUTLIER -74.38 62.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.434 ' CG1' ' HG ' ' A' ' 14' ' ' LEU . 3.4 t -82.63 93.61 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 94' ' ' PRO . 0.0 OUTLIER -142.91 156.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 t -101.48 125.26 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 2.8 p90 -125.23 134.51 52.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.96 -158.58 17.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -30.04 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 42' ' ' LEU . 77.6 t -57.86 -49.37 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -9.25 59.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' HA2' ' CD2' ' A' ' 3' ' ' LEU . . . 91.35 39.71 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -134.01 126.39 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 169.76 114.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -175.11 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.96 -1.22 30.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -121.23 12.79 11.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.0 t -101.88 165.92 10.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 167.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 31' ' ' VAL . 44.0 tp -111.15 110.24 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 70.5 m-20 -90.47 119.23 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mp -129.25 125.77 37.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 1.3 tm? -104.8 112.48 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.407 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -123.67 155.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -119.81 120.46 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.776 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 99.1 m-85 -92.61 125.8 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.82 -155.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.49 144.55 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.01 -22.95 35.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -76.83 130.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -118.04 174.06 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.62 -27.81 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -43.02 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.81 -36.3 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.776 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.0 m170 -60.41 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -60.22 -41.16 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -63.84 -38.61 91.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.524 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -74.89 -42.75 57.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.98 -40.74 96.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.509 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -73.7 -37.42 65.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.3 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -67.48 -46.07 74.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 24.8 mt-10 -64.01 -31.88 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 -50.6 11.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.92 90.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' O ' ' NH2' ' A' ' 9' ' ' ARG . 7.8 mp -82.55 -13.2 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 51.97 20.05 5.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.494 HG23 ' CE ' ' A' ' 1' ' ' MET . 17.7 m -143.3 153.01 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -46.04 133.23 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.8 t -133.99 125.75 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -104.79 118.23 36.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 75' ' ' VAL . 78.8 mt -107.47 144.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 21.8 t -130.31 146.54 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 p -105.39 127.67 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -47.48 -37.49 11.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -58.88 -73.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.32 -27.93 4.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.7 mt -55.4 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -111.32 168.36 7.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -44.34 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -78.38 -24.84 46.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 1.0 OUTLIER -83.37 -48.28 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 25.9 ttt180 -52.83 -50.8 62.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -55.09 -42.61 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.26 -36.63 69.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.515 HG13 ' CG ' ' A' ' 28' ' ' PHE . 60.3 t -61.93 -44.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.25 -47.28 78.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -53.69 -23.54 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -99.55 -39.08 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.08 127.84 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.411 ' N ' ' HB3' ' A' ' 26' ' ' ARG . 1.2 pp -126.07 123.97 24.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.412 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.5 Cg_endo -74.97 115.12 4.19 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 14' ' ' LEU . 1.7 tt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.6 m -140.88 112.52 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -173.1 98.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.621 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HG3' ' CD2' ' A' ' 6' ' ' LEU . 1.9 ttm -176.37 86.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.496 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 63.1 m-20 -98.22 154.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.27 -46.29 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.72 -38.05 80.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.474 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 2.4 m -76.22 -30.41 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -54.46 -39.53 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -74.31 -41.83 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.29 66.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -33.83 76.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.95 -48.08 80.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.23 -46.49 88.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HB3' ' CD2' ' A' ' 67' ' ' LEU . . . -70.44 -36.38 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.555 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 11.4 t -66.45 -34.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -65.13 -41.48 94.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -45.65 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.555 ' HG ' ' HA ' ' A' ' 13' ' ' VAL . 4.4 pp -73.6 -37.95 65.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.9 m -58.99 -37.19 76.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.68 78.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.9 -18.49 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.537 ' CG ' HD12 ' A' ' 60' ' ' LEU . 10.1 m-70 -86.61 5.14 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 80.69 56.21 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.32 116.57 15.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.92 -39.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 2.2 mmt85 -84.27 53.41 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 14' ' ' LEU . 4.3 m -66.19 105.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.68 155.23 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.47 116.58 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 43' ' ' ASP . 9.2 p90 -122.96 147.31 46.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.54 -163.8 12.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -33.65 74.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG2' HD11 ' A' ' 42' ' ' LEU . 16.2 t -59.14 -33.71 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.2 -39.21 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -17.85 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.8 25.28 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 4.1 tp10 -124.68 130.4 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.68 105.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.58 160.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.35 -0.73 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.38 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 176.6 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.65 170.34 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD11 ' CG2' ' A' ' 31' ' ' VAL . 1.2 tp -115.48 119.88 37.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.573 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.4 m-20 -86.41 112.57 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.04 125.52 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD21 ' CG1' ' A' ' 88' ' ' VAL . 13.9 tp -102.21 115.78 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG2' HG21 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.03 159.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -122.79 120.69 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 85.1 m-85 -91.38 132.72 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.27 -172.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -82.15 147.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.09 -6.23 61.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -94.66 159.23 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.0 p -139.47 172.93 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -33.74 68.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -40.57 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -36.84 72.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.643 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 12.5 m170 -58.75 -51.79 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.83 79.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 mtm-85 -63.75 -38.4 90.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.537 HD12 ' CG ' ' A' ' 20' ' ' HIS . 8.0 tp -74.25 -45.27 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -58.02 -38.27 75.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -70.51 -34.89 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.76 74.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 60' ' ' LEU . 2.5 mt -71.43 -37.8 71.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 12.2 mt-10 -58.86 -33.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.64 -50.57 11.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD2' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.51 -45.8 74.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.492 HD13 ' CZ ' ' A' ' 9' ' ' ARG . 3.6 mp -80.85 -6.86 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 38.64 28.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 69' ' ' GLY . 22.0 m -156.43 156.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -38.75 140.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' CG2' HD22 ' A' ' 68' ' ' LEU . 58.7 t -133.74 131.36 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.67 110.66 16.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.488 HG21 ' CG2' ' A' ' 46' ' ' VAL . 27.8 mt -99.95 144.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.474 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 45.6 t -127.3 145.02 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 79' ' ' GLY . 59.5 p -107.86 121.82 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.4 mt-10 -38.31 -46.82 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -48.98 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -64.73 -35.84 92.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.3 mt -55.73 178.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -113.67 170.96 4.78 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -25.26 44.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 mp -83.43 -48.69 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 5.2 ttm180 -53.31 -50.78 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -54.96 -42.94 72.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -72.19 -36.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.536 HG12 ' CG ' ' A' ' 28' ' ' PHE . 53.6 t -62.76 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.2 mt -55.82 -42.43 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -23.86 22.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -102.15 -47.81 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.61 141.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.2 pt -140.8 126.18 11.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 m -82.43 80.51 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -171.76 137.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE3' ' CD2' ' A' ' 6' ' ' LEU . 8.8 ptm -162.97 173.84 13.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.33 157.2 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.56 -45.45 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.19 -37.33 84.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -57.69 -40.79 80.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.9 mmt180 -64.16 -41.78 97.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.93 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.74 -30.63 68.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.632 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.95 -45.63 78.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.65 -44.83 85.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.482 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . . . -71.92 -36.15 69.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' HA ' ' CG ' ' A' ' 16' ' ' LEU . 19.5 t -68.8 -34.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' CG2' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.22 -42.07 89.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -46.03 87.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' CG ' ' HA ' ' A' ' 13' ' ' VAL . 4.3 pp -73.32 -36.25 66.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 2.1 m -58.04 -40.61 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.52 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -32.86 63.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.571 ' CD2' HD11 ' A' ' 60' ' ' LEU . 81.8 m-70 -82.12 5.34 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 84.75 69.43 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . -140.82 112.38 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.41 -40.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -84.84 50.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 25' ' ' VAL . 2.8 p -65.99 105.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 94' ' ' PRO . 0.8 OUTLIER -152.41 155.38 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 p -114.8 114.62 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' HG11 ' A' ' 88' ' ' VAL . 9.0 p90 -121.76 147.92 45.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.41 -171.57 14.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -59.8 -40.13 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.34 -33.47 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -90.04 8.71 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.94 45.98 24.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -133.07 126.98 33.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' ARG . . . 170.66 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' ALA . 4.1 ptp180 -52.06 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -10.54 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.19 29.88 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -112.07 166.8 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.67 171.27 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 1.5 tm? -112.3 120.0 40.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -98.11 114.21 26.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 75' ' ' VAL . 0.6 OUTLIER -129.61 125.1 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 7.9 tp -100.5 113.34 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -130.68 159.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.59 121.94 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 71.7 m-85 -92.2 126.55 37.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.59 -174.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.33 150.65 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.94 72.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -95.62 139.49 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -116.09 168.9 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -29.43 63.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.18 -42.26 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.07 -36.96 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.599 ' NE2' ' CG ' ' A' ' 48' ' ' PHE . 23.7 m170 -59.8 -48.12 82.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.4 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -68.69 -34.91 76.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 20' ' ' HIS . 1.8 tp -66.66 -46.11 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -64.26 -39.96 95.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -36.78 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.06 68.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.5 OUTLIER -69.16 -48.86 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 57.2 mt-10 -60.49 -27.43 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.8 -52.19 12.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -70.16 -41.71 73.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HG ' ' CD ' ' A' ' 9' ' ' ARG . 7.5 mp -79.95 -13.12 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 41.73 24.95 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.436 HG11 ' C ' ' A' ' 69' ' ' GLY . 26.0 m -148.29 156.28 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.97 131.86 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.477 ' CG2' HD22 ' A' ' 68' ' ' LEU . 2.7 t -133.84 136.16 54.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.21 110.8 16.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.477 HG22 ' CG2' ' A' ' 46' ' ' VAL . 61.5 mt -96.16 145.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 80' ' ' LEU . 2.1 t -121.76 141.99 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' GLY . 6.0 p -110.63 121.09 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.74 -46.68 88.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.46 -36.56 54.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -59.08 139.99 56.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.52 172.03 10.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -26.58 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 1.1 mp -81.6 -38.63 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 33.4 ttm180 -53.5 -50.47 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -41.99 72.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -71.8 -36.61 70.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 28' ' ' PHE . 48.7 t -64.52 -48.8 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -57.62 -40.75 79.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -24.16 15.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -105.8 -40.65 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 28' ' ' PHE . . . -54.46 132.15 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.9 pt -126.46 133.23 24.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.03 113.72 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.0 t -67.17 145.66 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -148.5 19.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HG2' ' CD1' ' A' ' 6' ' ' LEU . 1.8 ttm -85.58 132.92 34.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 6' ' ' LEU . 8.2 m-20 -126.34 158.18 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.9 mm? -63.24 -47.18 83.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.56 -41.67 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -74.77 -33.46 62.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.574 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.28 -35.84 70.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -69.78 -40.11 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.92 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -67.11 -36.61 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.574 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -60.68 -44.75 96.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.11 -45.87 89.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.55 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 54.6 t -68.05 -36.84 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -59.46 -42.88 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -34.7 74.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.37 -41.6 56.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.539 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.83 -41.44 86.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.43 77.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -38.78 77.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 11.5 m-70 -67.64 -36.83 81.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.568 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 128.04 41.72 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.24 110.83 20.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 18.2 m -91.42 -52.96 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.435 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 8.5 mmt-85 -78.09 85.82 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 14' ' ' LEU . 3.4 m -89.73 103.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.54 156.13 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG23 ' CD1' ' A' ' 44' ' ' LEU . 2.3 p -122.71 125.16 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 6.1 p90 -123.07 148.59 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.98 -165.19 16.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -69.69 -36.91 76.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.3 t -58.23 -33.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.58 -39.99 65.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -17.96 48.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.89 37.03 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.1 mm-40 -122.61 129.63 52.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 169.69 109.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.76 -0.39 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.65 29.21 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.9 t -103.13 164.81 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -102.13 161.71 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -114.48 119.67 37.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -98.63 125.42 43.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 HD12 ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.81 125.41 35.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -99.59 112.38 24.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.42 159.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.56 120.08 31.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 98.9 m-85 -93.06 129.57 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.71 -171.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.77 16.73 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.42 34.1 2.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 29.2 mmt180 -131.12 159.36 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.542 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 56.2 p -128.93 168.97 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -32.35 71.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -43.25 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 20' ' ' HIS . 8.7 t0 -70.51 -36.46 73.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 14.1 m170 -58.62 -51.89 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -66.48 -39.77 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -62.58 -34.27 76.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.527 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -71.12 -35.14 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.45 -37.01 84.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.488 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 2.7 mp -66.61 -30.8 71.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.05 60.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' N ' HD21 ' A' ' 64' ' ' LEU . 1.9 mt -64.37 -41.79 96.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 3.2 mt-10 -60.46 -36.26 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.66 -51.07 9.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.45 -45.67 86.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -81.52 -13.45 58.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 50.24 20.23 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG11 ' C ' ' A' ' 69' ' ' GLY . 19.9 m -142.17 164.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -55.01 138.6 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.482 ' CG2' HD23 ' A' ' 68' ' ' LEU . 81.8 t -133.2 139.48 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -121.8 111.57 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.487 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 56.1 mt -101.78 144.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.5 t -135.66 145.42 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 p -107.85 130.02 55.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.3 -41.48 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -23.55 67.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -96.22 -16.18 38.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.6 mt -74.15 -178.8 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -104.8 166.11 12.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -44.41 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -77.85 -26.59 49.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 -40.51 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 16.1 ttt-85 -52.76 -50.11 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.68 -38.39 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.9 -34.94 69.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.535 HG12 ' CG ' ' A' ' 28' ' ' PHE . 97.8 t -71.95 -34.27 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 95.5 mt -64.2 -51.67 62.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 12.9 ptm180 -66.03 -40.54 91.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 90' ' ' ARG . 64.2 mm-40 -70.26 -55.95 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 88' ' ' VAL . . . -39.75 158.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.4 pt -147.83 133.49 9.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 114.42 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.8 m -50.65 139.72 15.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.011 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.7 -161.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.507 ' HE3' ' CD2' ' A' ' 68' ' ' LEU . 0.4 OUTLIER 54.49 97.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -107.43 166.3 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 1.9 mp -69.78 -45.22 68.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -43.95 63.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -72.8 -33.15 66.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.83 -34.59 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -72.03 -41.14 67.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -52.09 65.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -65.04 -33.34 75.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HD3' ' CZ ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.64 -35.22 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.36 -47.84 59.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.79 72.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' O ' HD21 ' A' ' 16' ' ' LEU . 12.7 t -67.44 -36.54 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -59.08 -43.42 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.5 t -67.92 -35.53 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.99 -41.09 52.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.522 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.25 -30.84 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.07 -33.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -18.88 61.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 77.0 m-70 -98.27 -34.57 10.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 123.64 75.81 0.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 17' ' ' CYS . . . -145.76 103.24 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -101.98 -36.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 28.6 mmt180 -83.34 49.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 14' ' ' LEU . 3.3 m -66.6 101.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -152.07 155.22 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 44' ' ' LEU . 3.1 t -111.55 125.51 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 3.7 p90 -124.45 137.18 54.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.67 -162.2 12.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -31.24 66.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.451 ' CG1' HD23 ' A' ' 42' ' ' LEU . 20.6 m -58.14 -45.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB3' ' CG1' ' A' ' 93' ' ' ILE . . . -53.12 -32.48 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -18.52 37.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' CA ' HD21 ' A' ' 3' ' ' LEU . . . 106.99 31.39 3.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -123.35 126.4 46.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.64 111.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.81 160.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -80.38 -3.63 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.92 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 -172.93 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.2 167.06 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 HD23 ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -108.37 118.38 36.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.96 122.96 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 27' ' ' VAL . 2.6 tp -132.83 125.31 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD21 ' CG1' ' A' ' 88' ' ' VAL . 10.4 tp -96.13 116.98 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.49 156.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.16 122.31 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 96.2 m-85 -92.85 122.79 35.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.18 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.75 150.35 29.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -34.53 5.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -77.7 158.3 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.539 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 71.7 p -136.41 174.04 11.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.44 66.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -44.31 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -70.14 -37.01 75.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.587 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.2 m170 -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.57 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.86 -36.74 84.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.516 ' HG ' ' CB ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -63.24 -45.69 90.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.76 -44.4 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -35.54 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.39 -37.87 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' CD1' HD13 ' A' ' 74' ' ' ILE . 1.7 mt -69.01 -36.72 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' GLY . 33.9 mt-10 -63.92 -29.25 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.74 -50.57 13.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.8 -43.25 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 11.2 mt -82.28 -14.77 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.23 18.45 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.427 HG11 ' C ' ' A' ' 69' ' ' GLY . 13.1 m -146.94 164.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -50.3 136.27 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.6 140.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' LEU . 3.5 t70 -122.17 114.29 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 60.0 mt -102.81 142.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.478 ' CG1' HD21 ' A' ' 80' ' ' LEU . 2.5 t -117.09 144.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' ARG . 12.7 p -114.97 120.55 40.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' SER . 1.0 OUTLIER -38.4 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.59 -51.79 68.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -66.15 -38.58 94.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.478 HD21 ' CG1' ' A' ' 75' ' ' VAL . 0.2 OUTLIER -55.64 136.53 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.54 165.76 42.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 -25.01 49.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -36.45 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 7.3 ttm180 -52.75 -50.82 62.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.14 -42.87 70.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.35 -36.74 68.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 45' ' ' LEU . 39.6 t -64.85 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 8.9 mt -56.2 -45.92 79.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -23.31 9.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -103.8 -26.53 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -59.72 123.42 16.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.434 ' CG1' ' HB3' ' A' ' 32' ' ' ALA . 2.2 pp -121.0 144.25 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 145.16 31.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.532 ' CG ' ' HB3' ' A' ' 10' ' ' ARG . 1.9 tm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 31.4 m 40.54 79.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -178.04 137.3 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 6' ' ' LEU . 6.3 ptm -166.2 164.49 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -164.74 -176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -69.3 -46.33 67.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -46.31 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.14 -34.39 72.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -57.48 -39.17 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.36 64.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.49 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.568 ' CZ ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.1 -30.85 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.33 -46.72 76.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.53 -43.8 93.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.52 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.568 ' CG2' ' CZ ' ' A' ' 9' ' ' ARG . 9.9 t -67.15 -36.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.2 -38.62 91.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.03 -42.9 96.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 13' ' ' VAL . 4.3 pp -75.91 -31.67 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -56.61 -42.47 78.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.326 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -69.18 -33.06 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -73.76 -36.92 65.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.599 ' CD2' HD13 ' A' ' 60' ' ' LEU . 96.8 m-70 -84.79 5.34 28.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.49 72.29 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -140.61 108.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 17.3 m -97.19 -54.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -75.87 75.21 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.471 ' CG1' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -85.99 112.1 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.77 155.18 37.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.71 114.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CG ' HG12 ' A' ' 88' ' ' VAL . 19.6 p90 -122.36 147.99 45.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.71 -165.72 13.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.82 70.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.944 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG2' HD21 ' A' ' 42' ' ' LEU . 36.7 t -62.53 -34.98 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.35 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -2.21 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.89 31.94 25.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 3.6 tp10 -125.17 127.8 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.86 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.57 -179.93 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.05 -0.68 57.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -106.91 -7.21 17.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -112.76 -179.01 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.6 173.42 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD1' HD12 ' A' ' 44' ' ' LEU . 1.4 tm? -102.18 123.36 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -102.3 116.85 33.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.88 126.09 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 6.9 tp -98.36 115.22 27.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -127.64 158.16 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.426 ' CB ' ' HD2' ' A' ' 24' ' ' ARG . . . -128.13 120.33 27.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.719 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 88.4 m-85 -93.12 124.17 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.69 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.71 145.59 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.87 -20.5 46.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HE ' ' N ' ' A' ' 52' ' ' ARG . 2.3 mmp_? -76.7 126.23 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 0.806 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -109.78 174.08 6.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -27.13 58.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -44.52 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -71.21 -36.97 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.719 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 8.5 m170 -65.53 -50.2 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.552 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.14 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.8 mtm180 -68.93 -35.5 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' ' 20' ' ' HIS . 1.3 tp -66.17 -48.2 71.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -41.98 97.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -33.76 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -68.97 -37.53 78.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 64' ' ' LEU . 1.2 mt -70.79 -40.68 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 58.0 mt-10 -71.56 -27.13 62.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.79 -45.51 34.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -45.83 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.481 ' CD1' ' CZ ' ' A' ' 9' ' ' ARG . 41.6 mt -85.27 -10.09 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.46 19.34 4.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 m -127.86 -171.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -84.55 132.81 34.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 42' ' ' LEU . 51.4 t -133.74 145.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.04 113.29 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.48 HG22 ' CG2' ' A' ' 46' ' ' VAL . 6.9 mt -99.03 144.2 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.6 t -131.16 145.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 79' ' ' GLY . 62.1 p -109.47 123.91 50.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -42.6 -51.98 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.19 56.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -83.13 -20.17 61.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.0 mt -70.33 -174.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 84' ' ' LEU . . . -113.74 170.25 5.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -78.88 -24.39 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . 3.4 mp -82.52 -46.93 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -53.1 -50.09 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.75 -41.07 85.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -71.88 -36.59 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.496 HG12 ' CG ' ' A' ' 28' ' ' PHE . 54.3 t -64.0 -50.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.1 mt -56.53 -38.42 71.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -26.75 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -106.21 -44.28 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.341 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 28' ' ' PHE . . . -43.76 140.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 30.9 pt -139.57 128.8 13.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.476 HD12 ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' -1' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' -2' ' ' GLY . 44.7 m 39.41 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 1' ' ' MET . 15.9 t-160 -175.4 133.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 0.0 OUTLIER -178.38 111.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 9.7 m-20 -103.6 145.78 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.09 -45.9 71.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -56.36 -41.54 76.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -73.48 -31.74 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 mm? -55.61 -35.7 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -43.45 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.33 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.523 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -34.86 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 9' ' ' ARG . 4.4 mtt-85 -66.31 -31.86 72.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -46.77 63.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -36.59 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 54.8 t -67.21 -35.04 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -60.62 -43.63 97.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -36.55 80.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.23 -39.52 59.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.457 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.67 -43.05 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.58 70.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -18.87 62.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.635 ' CD2' HD12 ' A' ' 60' ' ' LEU . 95.8 m-70 -100.0 6.65 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.627 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.08 -14.04 64.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 138.22 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -139.03 -47.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -69.31 58.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG2' ' CD1' ' A' ' 14' ' ' LEU . 24.7 m -67.58 104.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.62 154.79 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 2.0 t -112.28 122.12 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CD1' HG12 ' A' ' 88' ' ' VAL . 4.4 p90 -124.95 134.26 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.39 -160.33 14.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -30.98 64.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.26 -48.44 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -53.27 -35.55 60.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 6.45 24.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.67 48.8 11.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 1.9 mp0 -131.45 125.0 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 169.34 104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -166.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.17 17.95 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -151.3 22.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 173.56 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.27 151.75 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 51.6 tp -102.23 110.14 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.2 m-20 -91.4 119.62 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mp -132.01 125.66 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 9.7 tp -102.71 112.54 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -129.72 159.45 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -125.79 128.87 48.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 41.9 m-85 -90.39 115.94 27.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 16.1 pt-20 -79.63 -143.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.2 mt-10 -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.59 38.63 4.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.628 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -132.38 159.28 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 p -141.59 165.12 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.26 -42.98 87.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -40.64 71.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -38.22 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.769 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m170 -59.52 -51.23 70.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.59 86.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.5 mtt-85 -63.38 -34.2 77.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.635 HD12 ' CD2' ' A' ' 20' ' ' HIS . 3.6 tp -62.4 -37.99 87.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 6.5 tptp -64.71 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -40.83 92.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' ' 16' ' ' LEU . . . -59.53 -37.16 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -70.29 -33.46 71.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 19.0 mt-10 -67.6 -32.21 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.31 -51.22 13.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.626 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -82.76 -4.58 58.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.485 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 39.64 28.03 0.12 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 69' ' ' GLY . 22.2 m -156.37 154.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -44.76 136.61 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 68' ' ' LEU . 5.8 t -133.32 143.61 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -120.02 110.36 16.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.476 HG21 ' CG2' ' A' ' 46' ' ' VAL . 14.0 mt -104.98 145.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 17.6 t -134.81 144.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.406 ' N ' HG12 ' A' ' 75' ' ' VAL . 59.3 p -104.66 120.87 42.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -41.33 -44.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.7 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.66 -33.52 66.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mt -56.29 172.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -106.75 170.84 5.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -79.3 -24.62 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.5 OUTLIER -83.45 -49.34 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 17.5 ttm180 -53.88 -50.28 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -54.51 -40.9 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -71.89 -36.63 70.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.567 HG12 ' CD1' ' A' ' 28' ' ' PHE . 39.9 t -63.09 -45.71 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 18.4 mt -55.88 -38.86 70.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -25.24 11.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -110.18 -29.6 8.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.86 124.69 13.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 22.6 pt -122.99 142.73 38.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 134.02 17.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.529 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m 44.72 76.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.429 ' O ' ' CB ' ' A' ' 1' ' ' MET . 22.0 t60 -171.23 130.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' CD2' ' A' ' 6' ' ' LEU . 5.2 ttm 165.96 105.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 14.9 m-20 -116.46 160.4 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -47.63 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -54.09 -40.42 67.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.3 m -76.59 -30.86 57.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -54.66 -35.85 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -43.57 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -52.57 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.17 -32.97 74.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -60.44 -48.74 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.92 -47.58 85.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.78 -36.1 75.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 16.0 t -68.61 -34.58 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.97 -42.51 94.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -62.79 -46.22 89.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' HG ' ' HA ' ' A' ' 13' ' ' VAL . 4.2 pp -73.01 -35.44 66.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' ALA . 1.3 m -58.45 -42.07 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.98 84.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -73.71 -18.7 60.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 60' ' ' LEU . 8.6 m-70 -83.75 -34.61 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.3 -7.96 4.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -80.12 118.53 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.413 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 15.4 m -98.63 -49.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 8.2 mtt180 -96.07 86.67 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' CG1' HD22 ' A' ' 14' ' ' LEU . 1.9 t -92.66 113.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 94' ' ' PRO . 1.1 mtt180 -145.78 155.79 43.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 31' ' ' VAL . 2.0 t -102.64 124.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 3.1 p90 -124.11 133.61 53.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.97 -150.64 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -74.03 -31.57 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG13 ' CG1' ' A' ' 27' ' ' VAL . 55.7 t -58.61 -38.87 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.19 -43.32 67.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -79.54 -18.21 52.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.63 4.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 8.1 mt-10 -126.59 131.33 51.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 162.32 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HG3' ' CB ' ' A' ' 40' ' ' SER . 9.4 ptp180 -121.98 -177.5 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.55 -7.36 57.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -112.07 15.77 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 41' ' ' ASP . 37.0 t -129.53 11.56 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.7 OUTLIER 52.07 173.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.8 OUTLIER -116.76 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 8.6 m-20 -75.95 111.86 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 42' ' ' LEU . 1.1 tp -131.21 125.42 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -104.14 112.39 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.629 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -131.03 159.83 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.15 120.62 34.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.712 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 91.0 m-85 -91.71 129.75 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.02 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.6 126.42 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.77 -13.24 20.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -76.3 127.06 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -111.9 171.14 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -28.49 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -41.7 98.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.6 -36.95 73.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.712 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 11.9 m170 -61.74 -50.2 73.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.532 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.64 91.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -63.49 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 3.9 tp -74.79 -43.61 53.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.05 -38.57 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -72.93 -34.44 66.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.63 91.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' CD2' HD12 ' A' ' 60' ' ' LEU . 2.2 mt -72.66 -29.05 63.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 4.3 mt-10 -66.65 -32.6 74.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.7 10.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.84 -45.84 87.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -81.85 -14.54 56.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 49.9 17.68 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG11 ' C ' ' A' ' 69' ' ' GLY . 14.2 m -138.9 168.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.97 137.25 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.506 ' CG2' HD22 ' A' ' 68' ' ' LEU . 45.6 t -133.74 130.6 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -122.61 109.55 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.629 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 31.4 mt -98.35 145.04 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 33.4 t -132.48 138.73 51.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 p -100.06 121.06 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -41.01 -30.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -53.67 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.44 -24.01 72.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mt -62.31 -177.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -109.72 166.56 10.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -45.32 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -79.22 -24.78 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.5 mt -83.46 -48.46 10.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 73.1 ttt180 -51.84 -50.09 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.46 -39.93 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.63 -35.94 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.75 -43.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 37.0 mt -55.54 -47.03 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -23.76 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' ALA . 4.5 mm-40 -100.02 -45.8 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.62 137.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.0 pp -134.86 121.2 14.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.421 ' N ' ' HG2' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 72.1 p 54.54 83.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -172.53 119.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.549 ' CE ' ' CD1' ' A' ' 6' ' ' LEU . 1.1 tpt -146.9 87.84 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -117.98 160.44 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 3.4 mm? -63.61 -46.62 84.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -43.85 72.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.17 -33.38 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' CD1' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -56.6 -38.29 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.439 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 7.7 mmm-85 -70.12 -42.94 71.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.94 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.533 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -63.1 -37.85 88.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.9 -46.97 87.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.545 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 5.6 t -66.61 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' CD1' HG23 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -62.72 -39.57 94.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -44.2 96.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.545 ' HG ' ' HA ' ' A' ' 13' ' ' VAL . 4.1 pp -74.13 -31.76 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -57.75 -42.54 84.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.51 -33.56 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -71.21 -41.13 70.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.533 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 74.8 m-70 -67.98 -34.47 76.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 120.97 42.35 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -114.53 117.09 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 24' ' ' ARG . 4.3 m -96.32 -50.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -82.79 110.23 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG23 ' CD1' ' A' ' 14' ' ' LEU . 15.8 m -119.75 106.4 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -152.62 154.79 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG23 ' NH1' ' A' ' 10' ' ' ARG . 2.2 t -102.08 123.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 2.1 p90 -123.29 133.0 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.72 -160.0 14.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -32.96 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 32' ' ' ALA . 21.0 m -58.77 -45.8 91.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 31' ' ' VAL . . . -56.9 -38.11 72.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.85 0.62 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.78 37.57 13.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 5.7 mm-40 -123.27 125.62 45.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 162.07 109.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -172.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.56 -5.02 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -124.97 34.34 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.7 p -117.43 169.48 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.72 163.46 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -113.75 126.34 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 16.3 m-20 -104.7 125.49 50.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 42' ' ' LEU . 80.3 mt -134.58 125.27 26.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -103.55 112.45 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -123.05 159.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.429 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -120.73 120.27 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.63 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 71.7 m-85 -93.94 132.34 38.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.39 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.29 16.32 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 28.51 3.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 27.4 mmt180 -125.3 146.86 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 18.4 p -117.0 172.89 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -28.16 67.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -44.37 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.45 -36.94 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.63 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 10.5 m170 -59.37 -51.48 69.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.416 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -63.35 -38.75 92.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.533 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -72.46 -47.44 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 72' ' ' VAL . 1.2 tptm -57.31 -51.85 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.83 -36.02 82.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 59' ' ' ARG . . . -64.23 -39.79 94.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.481 ' N ' HD22 ' A' ' 64' ' ' LEU . 1.0 OUTLIER -72.21 -29.2 63.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.3 mt-10 -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -44.45 38.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -46.38 83.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD12 ' CZ ' ' A' ' 9' ' ' ARG . 3.4 mt -83.29 -14.56 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.04 20.11 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.0 m -141.75 149.76 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -40.14 135.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.501 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.4 t -133.25 143.19 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 111.87 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 61' ' ' LYS . 23.2 mt -102.22 137.31 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.494 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.3 t -120.1 145.54 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -114.62 131.32 56.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.17 -48.88 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -51.59 -54.42 27.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.4 -28.2 71.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -62.61 -175.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -116.34 169.93 6.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.33 -25.44 46.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.0 mt -83.39 -46.38 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 39.6 ttt180 -52.71 -51.29 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.24 -41.58 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.29 69.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.7 t -59.88 -42.55 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 9.7 mt -56.19 -37.55 69.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -23.01 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 4.5 mm-40 -105.42 -43.95 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.26 116.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -118.77 144.76 36.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 140.89 26.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 67.7 p -151.36 89.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' -1' ' ' SER . 42.8 m80 -155.65 122.48 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' CE ' HD23 ' A' ' 68' ' ' LEU . 5.5 ptm -155.91 166.27 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -149.16 161.75 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.7 mm? -57.67 -44.23 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.14 -44.9 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -62.34 -34.82 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -57.21 -44.25 83.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -70.99 -35.8 72.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -51.16 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.607 ' CZ ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -70.23 -30.9 68.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.62 -42.32 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.96 -46.56 87.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.83 -37.7 67.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.519 ' CG2' ' CZ ' ' A' ' 9' ' ' ARG . 20.2 t -66.01 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD23 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.5 -42.79 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -33.74 72.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.504 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -75.49 -42.46 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -57.4 -42.62 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.276 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.45 70.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -72.61 -20.06 61.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.514 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 96.3 m-70 -98.18 -4.38 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' C ' ' HA ' ' A' ' 48' ' ' PHE . . . 104.09 -13.29 52.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 17' ' ' CYS . . . -61.75 129.99 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -49.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.6 mtt180 -78.84 60.26 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' CG1' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -78.06 101.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -138.41 156.39 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 44' ' ' LEU . 2.5 t -102.22 119.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 1.9 p90 -124.66 131.21 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.07 15.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -30.95 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 42' ' ' LEU . 18.9 m -58.06 -42.47 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . . . -53.03 -36.79 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -18.34 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.73 33.25 4.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.38 125.1 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.78 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -177.57 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG2' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -49.9 178.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -13.87 60.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -111.44 39.45 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 19.3 m -142.92 169.61 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.31 178.92 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -115.19 116.61 28.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 71.7 m-20 -89.87 119.87 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' CD1' HG11 ' A' ' 27' ' ' VAL . 1.4 tp -135.53 125.13 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' CD1' ' A' ' 80' ' ' LEU . 12.2 tp -99.3 113.51 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.596 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.6 OUTLIER -129.22 158.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -127.19 120.75 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 53.5 m-85 -88.48 125.45 34.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -124.61 177.69 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 71.98 -146.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.85 72.86 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -109.32 154.46 22.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 p -134.63 174.16 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -34.43 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -41.86 72.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -70.8 -37.4 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 10.6 m170 -59.07 -52.07 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.4 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.1 mmt85 -69.45 -34.02 73.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.514 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -64.63 -48.35 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -62.49 -45.79 91.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -67.66 -31.68 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -71.38 -45.83 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.3 -42.2 95.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 75.2 mt-10 -67.77 -26.8 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -49.42 23.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.77 -46.04 87.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.607 ' CD1' ' CZ ' ' A' ' 9' ' ' ARG . 17.1 mt -85.12 -5.7 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.11 22.86 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG13 ' C ' ' A' ' 69' ' ' GLY . 18.2 m -134.45 -175.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -79.85 130.41 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 t -133.27 136.73 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.07 111.37 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.596 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 27.8 mt -97.29 143.93 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.524 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 16.8 t -125.48 144.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 p -109.6 131.91 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -48.52 -46.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -48.37 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.83 -4.73 55.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.524 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mt -88.16 -179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -102.59 164.37 15.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -25.12 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -83.32 -48.98 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.8 ttm180 -53.25 -50.92 63.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -54.74 -42.3 71.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -71.55 -37.05 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 28' ' ' PHE . 82.4 t -59.43 -37.03 67.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 55.2 mt -55.94 -44.55 78.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.26 -23.39 8.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 92' ' ' ALA . 4.6 mm-40 -103.1 -45.77 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -39.26 130.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.3 pt -127.59 121.29 22.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.493 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 95.4 p -59.01 102.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 1' ' ' MET . 4.2 t60 -169.21 137.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' CB ' ' O ' ' A' ' 0' ' ' HIS . 1.5 ttm 162.49 132.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.73 158.9 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.74 -45.86 92.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -65.32 -44.65 87.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.471 ' O ' ' HD2' ' A' ' 9' ' ' ARG . 1.3 m -66.1 -35.31 80.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -54.41 -42.89 70.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HA ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.69 -28.32 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.66 44.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -78.88 -32.23 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.33 -37.24 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.2 -46.36 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.37 -35.57 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.555 ' HA ' ' CG ' ' A' ' 16' ' ' LEU . 40.5 t -64.97 -34.33 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD23 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.52 -42.31 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -45.33 90.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.555 ' CG ' ' HA ' ' A' ' 13' ' ' VAL . 4.4 pp -73.64 -36.62 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 1.8 m -58.39 -41.26 84.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -67.98 -33.65 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -73.33 -18.13 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.536 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 83.2 m-70 -93.84 4.76 53.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.58 -24.73 29.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . -47.62 156.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -147.2 123.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 8.6 mmt180 84.58 -51.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.532 ' CG1' HD23 ' A' ' 14' ' ' LEU . 7.5 t 56.22 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -125.75 154.79 42.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p -114.94 119.34 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.577 ' CD2' HG13 ' A' ' 88' ' ' VAL . 3.8 p90 -120.66 148.04 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.16 -164.23 20.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -72.51 -36.8 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 t -58.53 -36.01 57.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.3 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.8 -16.79 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.37 32.54 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.64 133.11 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 173.42 106.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -54.91 177.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.8 -1.0 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.09 21.87 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.461 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 8.6 t -97.64 156.25 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 172.74 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.1 tp -115.14 111.17 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.67 125.68 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' CG1' ' A' ' 72' ' ' VAL . 65.3 mt -132.12 126.22 33.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -100.39 112.14 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG1' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -132.12 153.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -128.5 120.54 26.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.485 ' HB3' ' HG2' ' A' ' 52' ' ' ARG . 34.0 m-85 -90.15 127.88 36.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -100.01 -162.1 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 5.5 tt0 49.7 -150.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.76 84.54 0.36 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -110.01 156.43 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -113.06 168.93 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.71 -30.04 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -44.05 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -69.76 -38.05 76.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 21.0 m170 -63.47 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.74 82.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -69.53 -34.1 73.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.536 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -61.53 -49.55 76.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.8 -43.99 86.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -36.68 81.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.31 -36.42 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 64' ' ' LEU . 1.4 mt -71.13 -44.06 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.3 mt-10 -65.18 -28.65 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.93 -48.86 19.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.23 -45.84 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -82.31 -15.0 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.97 20.48 1.92 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.436 HG13 ' C ' ' A' ' 69' ' ' GLY . 18.0 m -136.38 157.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.86 128.37 20.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.438 ' CG2' HD13 ' A' ' 68' ' ' LEU . 91.1 t -133.82 139.54 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -120.53 109.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.478 HG23 ' CG2' ' A' ' 46' ' ' VAL . 88.7 mt -93.49 144.97 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' CG1' HD23 ' A' ' 80' ' ' LEU . 2.3 t -125.89 143.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLY . 4.4 p -107.63 120.83 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 29.2 mt-10 -42.73 -35.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -42.36 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -74.85 -37.23 45.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.466 HD23 ' CG1' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -59.68 140.23 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.69 170.53 13.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -25.26 53.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.471 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -82.79 -35.82 26.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.453 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -53.29 -49.99 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.89 -41.26 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.75 -36.98 70.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.577 HG13 ' CD2' ' A' ' 28' ' ' PHE . 45.0 t -64.9 -49.32 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.7 mt -58.17 -41.24 83.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -53.63 -26.89 24.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.58 -37.02 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.25 135.45 56.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.2 pt -126.75 132.61 24.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.78 9.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD23 ' CG ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.9 p -64.39 83.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -170.93 132.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HG3' ' CD2' ' A' ' 6' ' ' LEU . 2.2 ttm 168.93 97.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 1.3 m-20 -108.2 161.18 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.22 -46.21 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 -43.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -68.5 -32.4 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.567 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -55.53 -49.03 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.32 -54.87 41.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.669 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -75.77 -30.29 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.669 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -57.99 -33.07 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -47.68 60.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.08 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 73.3 t -58.52 -43.93 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -57.92 -43.08 86.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.77 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.75 -40.64 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.514 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 1.2 m -58.39 -41.38 84.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.62 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -33.48 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.515 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 43.5 m-70 -80.27 -11.79 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.35 26.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -70.57 104.34 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.71 -41.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -83.71 62.29 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 38.4 t -82.25 112.35 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB3' ' CA ' ' A' ' 94' ' ' PRO . 6.1 ptm180 -151.5 155.5 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.46 ' CG1' HD13 ' A' ' 44' ' ' LEU . 1.2 t -105.21 122.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 13.0 p90 -121.84 140.4 52.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.34 -151.5 17.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.411 ' OG ' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -72.65 -31.15 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 ' CG1' ' A' ' 27' ' ' VAL . 26.4 m -58.83 -45.48 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' N ' HG22 ' A' ' 31' ' ' VAL . . . -55.5 -33.61 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -82.78 -17.26 44.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.23 29.85 6.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' OG ' ' A' ' 30' ' ' SER . 5.8 tp10 -123.8 127.68 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.42 86.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 168.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.72 -9.04 40.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.53 -2.13 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.11 175.29 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.51 178.07 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 2.5 tm? -101.85 116.64 33.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.3 m-20 -94.88 116.37 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD13 ' CG1' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -130.84 125.57 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' CD2' ' CD1' ' A' ' 80' ' ' LEU . 2.6 tp -99.65 113.05 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.625 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -123.86 158.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.46 121.23 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 57.1 m-85 -92.66 120.54 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLU . 12.5 pt-20 -81.12 -167.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . 5.2 tt0 38.01 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.33 75.12 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.16 148.91 30.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.456 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 75.5 p -96.95 165.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -28.81 69.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -44.29 82.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.3 -37.07 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 13.7 m170 -61.13 -50.54 72.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.565 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -65.5 -36.21 83.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -63.57 -40.2 96.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.515 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -58.89 -44.82 91.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 3.1 tptm -57.26 -52.2 66.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 58' ' ' ALA . 6.4 mp -60.55 -29.21 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 16' ' ' LEU . . . -71.14 -41.93 69.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 74' ' ' ILE . 2.6 mt -68.77 -42.35 77.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -58.6 -36.12 73.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.3 -49.73 14.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -45.4 85.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 9' ' ' ARG . 5.8 mp -81.6 -13.86 57.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.11 20.94 2.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 71' ' ' ARG . 18.0 m -147.58 148.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -36.84 133.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG23 ' CD2' ' A' ' 68' ' ' LEU . 54.8 t -133.38 138.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -121.56 111.33 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.625 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 9.5 mt -102.6 142.75 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.4 t -131.62 145.74 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 p -106.94 122.86 47.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 53.8 mt-10 -42.35 -43.15 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -55.31 -49.78 71.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.77 -28.05 73.4 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.561 1.163 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.2 mt -59.89 -178.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -105.37 165.1 13.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -25.41 45.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.84 -43.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 43.3 ttt180 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.87 -42.89 76.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -37.82 70.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.507 HG11 ' CG ' ' A' ' 28' ' ' PHE . 56.1 t -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 9.6 mt -55.82 -38.12 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -23.39 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -112.56 -43.29 3.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 28' ' ' PHE . . . -44.72 128.59 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -126.48 114.18 23.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.481 ' CA ' ' HB3' ' A' ' 26' ' ' ARG . 18.4 Cg_endo -74.96 116.01 4.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 14' ' ' LEU . 2.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 0' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 71.0 p -82.65 116.3 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' -2' ' ' GLY . 0.0 OUTLIER -171.0 100.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.529 ' HE1' ' CD2' ' A' ' 68' ' ' LEU . 4.8 mtp -147.97 139.19 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -146.88 154.51 41.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.6 -46.86 86.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -44.66 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -33.9 72.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.518 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.03 -35.45 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.568 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 10.3 mtt-85 -62.26 -33.49 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.1 -47.99 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.49 -35.52 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 37.7 t -67.28 -36.31 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD23 ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -57.4 -43.7 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.86 -40.74 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.513 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -56.62 -39.5 73.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.52 76.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -67.61 -38.06 83.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 53.1 m-70 -71.56 -28.95 64.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 130.84 -15.28 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.98 114.27 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 24' ' ' ARG . 31.2 m -101.91 -43.55 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' N ' HG23 ' A' ' 23' ' ' VAL . 24.9 mtp180 -98.24 80.4 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' CG1' HD23 ' A' ' 14' ' ' LEU . 2.7 t -88.56 104.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -137.65 155.42 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.82 125.5 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 9.9 p90 -123.66 140.79 52.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.66 -151.13 18.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -37.71 67.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG11 ' CD2' ' A' ' 42' ' ' LEU . 77.8 t -58.55 -33.96 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.78 -30.33 67.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -13.28 28.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.61 28.05 6.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.96 133.87 55.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.46 95.31 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -40.59 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.32 -2.57 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.99 17.81 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 37' ' ' ARG . 1.1 m -103.55 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.97 159.23 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -80.32 116.96 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 77.0 m-20 -99.59 120.57 39.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 42' ' ' LEU . 1.1 tp -135.58 125.4 25.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -99.07 111.79 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.502 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -123.0 157.57 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.58 121.05 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.75 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 31.8 m-85 -91.82 138.81 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 35.7 mt-10 -54.39 -162.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.83 1.52 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.54 42.01 1.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.561 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -129.93 138.96 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -89.44 149.97 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.49 -29.28 64.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -42.39 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.64 -36.92 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 15.1 m170 -58.66 -51.86 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.0 85.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' ALA . 24.5 mtt-85 -66.38 -34.01 77.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.567 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -57.65 -39.78 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -65.29 -48.65 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.43 -31.3 71.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -69.82 -39.63 76.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -71.99 -34.57 69.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.9 mt-10 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.45 -51.17 13.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.19 -43.81 93.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.529 ' CD2' ' HE1' ' A' ' 1' ' ' MET . 6.8 mt -82.06 -14.6 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.59 21.78 0.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.436 HG12 ' C ' ' A' ' 69' ' ' GLY . 23.4 m -141.29 157.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -45.59 123.72 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.451 ' CG2' HD11 ' A' ' 68' ' ' LEU . 54.8 t -134.16 138.92 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.435 ' N ' HG13 ' A' ' 72' ' ' VAL . 8.8 t0 -121.74 131.61 54.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.502 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 72.0 mt -118.02 145.17 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 38.9 t -125.31 145.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -104.63 127.95 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.443 ' CG ' HD11 ' A' ' 45' ' ' LEU . 16.0 mt-10 -48.92 -37.29 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -50.79 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.3 65.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 mt -66.19 -175.52 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -111.22 166.74 10.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -44.43 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -78.24 -26.02 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 24.9 mt -83.51 -45.79 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 20.5 ttt-85 -52.92 -50.81 63.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.14 -41.11 71.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -36.78 69.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 60.5 t -65.0 -50.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.3 mt -56.8 -25.92 56.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -71.07 -23.18 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 11.0 mm-40 -107.48 -44.8 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.04 135.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 91' ' ' GLU . 9.8 pt -135.28 147.87 63.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.89 23.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.574 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 52.0 p -99.81 83.11 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -145.85 18.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' CE ' HG21 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -60.54 113.64 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' O ' HD23 ' A' ' 6' ' ' LEU . 55.7 m-20 -121.75 152.9 38.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.81 -47.15 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.13 -45.28 71.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 1.2 m -71.79 -31.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -52.54 -40.25 62.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.94 70.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.28 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -71.33 -36.69 71.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.708 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.41 -37.22 72.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.38 -46.89 87.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.77 70.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 64' ' ' LEU . 24.4 t -66.93 -37.15 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' HG ' ' CD1' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -59.12 -43.41 91.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -33.16 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.52 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -75.29 -38.89 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -56.17 -42.46 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.3 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.28 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -73.0 -26.51 61.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.602 ' CD2' HD11 ' A' ' 60' ' ' LEU . 6.3 m-70 -81.97 5.12 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.97 -25.18 24.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 17' ' ' CYS . . . -43.67 158.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -147.03 -49.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 2.8 mmt85 -110.48 65.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.479 ' HA ' ' CG1' ' A' ' 46' ' ' VAL . 24.1 t -70.75 125.91 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 mtt180 -151.97 155.32 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 p -116.86 119.56 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CD2' HG11 ' A' ' 88' ' ' VAL . 15.4 p90 -122.9 148.01 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -157.91 16.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG11 ' CG ' ' A' ' 42' ' ' LEU . 44.2 t -58.77 -38.26 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -29.99 67.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -89.63 -13.77 36.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.14 37.9 3.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -129.35 125.81 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -174.97 -165.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 174.68 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -18.15 41.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -110.29 62.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.05 -174.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.73 163.64 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -113.84 118.97 35.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 3.0 m-20 -79.93 112.94 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.5 mt -118.87 124.85 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 22.3 tp -96.18 116.36 28.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 25' ' ' VAL . 9.3 m -133.76 159.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.456 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -128.12 121.34 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 71.1 m-85 -92.25 128.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.13 -164.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -92.72 127.43 38.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -23.31 9.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -77.02 148.12 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.1 p -129.74 172.71 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -31.21 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -44.06 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -68.81 -36.64 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 13.3 m170 -58.59 -45.67 88.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.64 84.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -69.67 -35.04 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.602 HD11 ' CD2' ' A' ' 20' ' ' HIS . 5.1 tp -70.25 -48.07 58.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.87 -49.06 77.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.61 -33.71 76.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.88 78.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' CD2' HD21 ' A' ' 16' ' ' LEU . 2.8 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 39.1 mt-10 -67.79 -30.09 69.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.51 -51.22 17.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' O ' ' NH1' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -65.64 -46.34 79.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 68' ' ' LEU . 2.6 mp -82.61 -1.85 52.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 37.35 30.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 69' ' ' GLY . 24.3 m -157.13 158.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -45.47 138.16 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.426 ' CG2' HD21 ' A' ' 68' ' ' LEU . 53.7 t -133.2 135.7 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.73 112.74 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 61' ' ' LYS . 87.0 mt -101.73 144.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' CG1' HD21 ' A' ' 80' ' ' LEU . 1.3 t -130.12 142.44 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 90.8 p -111.33 126.14 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.59 -51.32 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -38.27 6.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -75.82 -38.29 36.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 HD21 ' CG1' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -61.42 138.41 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.14 167.05 19.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -76.61 -26.44 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 17.5 mt -81.86 -34.11 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 23.3 ttm180 -54.37 -50.54 67.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.71 -42.67 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.31 -36.51 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 28' ' ' PHE . 65.3 t -65.62 -49.72 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 17.4 mt -56.36 -37.42 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -53.55 -23.8 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -113.87 -29.89 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -54.56 121.07 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 38.6 pt -125.19 147.44 57.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 116.77 4.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 2.4 tm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.1 m -101.01 100.15 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -171.6 113.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HE2' ' CD2' ' A' ' 68' ' ' LEU . 10.6 ptm -136.88 176.57 8.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 171.62 -179.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.8 mm? -61.2 -45.3 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.63 -46.11 77.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.79 -34.02 71.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -57.28 -44.94 84.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -64.54 -33.87 76.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -51.24 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.578 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -73.1 -32.7 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 11.4 mmt180 -58.58 -33.14 69.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.27 -48.37 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.39 64.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' O ' ' N ' ' A' ' 17' ' ' CYS . 12.0 t -67.85 -35.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -59.22 -44.94 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -33.79 70.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD23 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.8 -39.02 57.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -55.66 -43.85 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.89 72.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -19.87 63.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.615 ' CD2' HD13 ' A' ' 60' ' ' LEU . 97.5 m-70 -102.84 1.15 33.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 101.6 -24.61 30.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 17' ' ' CYS . . . -50.07 129.96 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -133.36 -50.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -77.23 63.53 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -67.75 112.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.66 153.32 34.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG11 ' CD2' ' A' ' 44' ' ' LEU . 1.5 t -107.86 122.32 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.2 p90 -123.11 135.44 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.13 -159.82 14.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -30.51 64.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.439 ' CG1' HD12 ' A' ' 42' ' ' LEU . 30.1 m -57.82 -48.93 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.71 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 9.5 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.62 50.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -130.43 126.51 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 171.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.41 -2.56 49.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -122.47 27.57 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -120.83 166.48 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.53 179.81 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 68.7 tp -115.73 110.01 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.87 119.04 27.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 27' ' ' VAL . 91.9 mt -125.69 129.44 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 18.3 tp -102.0 113.61 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG2' HG22 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -136.32 150.52 27.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -129.51 123.76 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.79 ' CE1' ' CE1' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -92.48 144.18 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 5.7 pt-20 -84.92 -151.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 51' ' ' GLY . 4.4 tt0 -85.08 158.99 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 50' ' ' GLU . . . 94.51 -32.15 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.484 ' HG2' ' CB ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -76.08 157.63 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 p -135.3 175.0 9.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -34.74 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.01 -42.99 73.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.25 -36.42 81.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 9.7 m-70 -59.05 -52.45 65.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.74 -39.89 80.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -62.88 -43.54 98.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.615 HD13 ' CD2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -58.34 -37.92 76.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 2.4 tptm -66.1 -51.99 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.3 OUTLIER -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.56 -47.54 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -60.29 -40.76 91.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 69' ' ' GLY . 63.7 mt-10 -72.57 -27.36 62.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.57 35.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.28 -46.39 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.76 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.571 ' CD1' ' CZ ' ' A' ' 9' ' ' ARG . 11.2 mt -87.31 -8.19 56.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.37 20.77 2.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.2 m -130.42 178.62 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -76.35 128.47 34.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.4 t -133.82 145.0 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -115.17 113.99 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.488 HG22 ' CG2' ' A' ' 46' ' ' VAL . 20.8 mt -103.13 145.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.503 HG11 ' CD2' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -131.64 145.75 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 p -107.87 120.89 43.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' CG ' HD11 ' A' ' 45' ' ' LEU . 22.5 mt-10 -42.32 -37.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -54.63 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.14 91.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' CD2' HG11 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -56.39 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -45.15 161.74 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.08 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -75.73 -27.23 58.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.9 mt -82.84 -33.08 27.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 47.2 ttp180 -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.72 -41.96 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.56 -36.35 68.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG11 ' CD2' ' A' ' 45' ' ' LEU . 47.0 t -69.97 -45.87 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 93.6 mt -56.18 -49.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -22.88 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.06 144.82 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.6 pt -138.16 132.29 16.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.89 11.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 6.7 m -66.7 171.05 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -150.73 -174.98 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.48 ' CE ' HD21 ' A' ' 68' ' ' LEU . 1.1 ttm 64.12 144.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -154.88 159.26 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.41 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 4.2 mm? -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -64.63 -38.39 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -41.96 92.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 mt -57.02 -43.27 81.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -63.07 -40.47 97.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -51.38 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.641 ' CZ ' ' CD1' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.45 -29.35 67.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.604 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -56.47 -42.75 78.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -48.39 81.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.99 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' O ' ' N ' ' A' ' 17' ' ' CYS . 31.4 t -65.04 -42.57 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' CD1' ' CD2' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -57.63 -43.54 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -38.72 91.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.62 -38.94 53.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.1 m -57.63 -42.28 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -27.03 60.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -97.42 6.01 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.674 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 80.59 74.6 1.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 17' ' ' CYS . . . -156.76 89.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 m -89.87 -34.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.28 54.25 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 22.0 t -71.11 74.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.53 155.12 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG12 ' CG1' ' A' ' 93' ' ' ILE . 1.5 p -107.23 117.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.6 p90 -122.97 147.83 46.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.5 -170.88 13.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -35.65 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 HG11 ' CD2' ' A' ' 42' ' ' LEU . 9.2 m -59.02 -35.09 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -36.33 77.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.25 9.2 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.65 12.08 84.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.37 125.51 35.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.39 148.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -125.85 -175.58 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.81 -1.31 30.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.38 42.97 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p -126.36 176.54 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.26 174.48 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.493 ' CD2' HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -114.91 121.04 41.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -105.07 114.05 28.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CG ' HD11 ' A' ' 42' ' ' LEU . 15.1 mt -131.37 127.65 38.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 18.9 tp -97.89 121.85 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.616 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -130.63 158.88 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.5 124.32 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.679 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 31.2 m-85 -92.87 117.3 29.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.8 pt-20 -93.96 -157.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 6.0 tt0 38.87 -147.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.53 90.43 0.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.797 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.6 160.12 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 61.1 p -129.49 173.95 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -28.04 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -45.09 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -37.78 72.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.679 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 14.1 m170 -60.43 -50.22 74.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.645 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.44 82.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -68.54 -37.78 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 16' ' ' LEU . 3.2 tp -58.27 -50.19 74.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.49 -44.51 89.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.83 -31.98 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.84 -43.1 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.438 ' CD2' HD21 ' A' ' 16' ' ' LEU . 1.1 mt -65.08 -40.0 94.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.4 mt-10 -68.96 -26.86 65.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -45.06 45.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.403 ' CD2' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -63.6 -46.38 86.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.641 ' CD1' ' CZ ' ' A' ' 9' ' ' ARG . 13.1 mt -90.33 1.87 56.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 38.72 29.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 68' ' ' LEU . 22.2 m -132.84 -171.5 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -90.18 128.73 36.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.91 143.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -118.75 111.44 18.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.616 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 6.2 mt -96.14 143.83 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -127.45 146.41 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' GLY . 3.8 p -107.17 123.04 47.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -41.43 -51.97 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.21 65.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.64 -28.51 65.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.49 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 mt -62.81 -176.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -108.59 166.45 10.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -78.61 -25.7 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -82.94 -48.13 11.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -52.64 -51.22 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.32 -43.1 70.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.69 -36.91 67.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 96.3 t -59.93 -39.4 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 34.6 mt -56.03 -45.32 79.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -53.92 -23.99 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -100.95 -49.05 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.15 137.42 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.421 ' CG1' HG12 ' A' ' 27' ' ' VAL . 37.7 pt -134.26 131.35 20.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . 0.434 ' N ' ' CD2' ' A' ' 0' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.6 m -72.47 95.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.434 ' CD2' ' N ' ' A' ' -2' ' ' GLY . 7.5 p80 -164.4 112.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' CE ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 170.76 122.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -138.26 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 4.5 mm? -70.25 -46.47 64.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.37 -46.02 78.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.4 m -61.45 -32.49 72.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.576 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -62.22 -47.78 82.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.2 mmt85 -56.17 -31.93 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.63 -55.08 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.656 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -77.81 -31.03 51.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.656 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -57.93 -30.14 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.82 -48.18 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.18 65.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 9' ' ' ARG . 89.2 t -65.36 -40.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -57.92 -43.01 85.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -37.1 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.558 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.05 -36.57 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -56.3 -42.57 77.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.29 -33.17 71.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -65.33 -19.44 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 63.8 m-70 -93.55 -31.98 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.67 -14.67 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 107.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.09 -43.38 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -86.56 81.23 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG1' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -91.18 113.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -151.53 152.33 32.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 21.0 t -103.98 122.07 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 2.8 p90 -124.91 133.41 53.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.32 -157.77 16.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -29.74 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.0 t -57.42 -48.61 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 27' ' ' VAL . . . -61.0 -31.77 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -80.87 -14.57 57.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.99 43.3 2.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -137.39 127.4 25.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 175.45 125.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -175.08 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.3 -0.73 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -113.97 10.12 17.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -122.94 168.61 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.35 175.93 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' A' ' 73' ' ' ASP . 12.3 tp -110.37 111.91 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 16.4 m-20 -86.38 115.18 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD12 ' NH2' ' A' ' 10' ' ' ARG . 85.1 mt -133.55 126.85 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -103.74 113.55 27.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.484 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -123.71 158.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -125.15 122.09 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 92.1 m-85 -92.55 122.03 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.21 -168.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 42.15 -154.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.75 65.53 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -78.4 137.85 38.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -104.43 170.96 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -42.75 74.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -70.15 -37.0 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 15.0 m170 -60.37 -48.95 79.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.43 75.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -63.02 -39.04 93.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.518 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -74.29 -41.45 61.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.88 -39.77 94.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.506 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -73.05 -34.63 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.06 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -70.0 -37.33 75.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 10.8 mt-10 -66.17 -32.53 74.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.47 -49.5 19.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.54 -44.79 89.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.481 ' CD2' ' HD3' ' A' ' 9' ' ' ARG . 6.0 mt -82.02 -14.21 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.78 20.22 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 68' ' ' LEU . 20.7 m -142.96 161.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -51.79 132.69 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.444 ' CG2' HD11 ' A' ' 68' ' ' LEU . 78.8 t -133.6 136.4 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -112.39 114.09 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.484 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 4.3 mt -106.43 143.32 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.481 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 42.9 t -131.17 145.05 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -108.22 121.8 45.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -40.42 -29.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' SER . 7.0 ttt180 -68.6 -54.77 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.69 -18.37 63.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.481 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -67.39 -175.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -118.48 172.16 4.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -25.0 45.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 1.3 mp -82.99 -48.22 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 13.4 ttp180 -52.7 -50.5 63.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.35 -42.86 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.4 -37.33 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.521 HG12 ' CG ' ' A' ' 28' ' ' PHE . 59.0 t -63.06 -49.09 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -56.14 -37.45 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -22.96 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 92' ' ' ALA . 8.8 mm-40 -109.38 -42.05 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -39.06 115.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.1 pt -117.95 129.33 25.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' CD1' ' HG2' ' A' ' 10' ' ' ARG . 1.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 3.2 m -180.0 120.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' -1' ' ' SER . 0.8 OUTLIER 163.41 140.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 0.5 OUTLIER -178.19 99.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.472 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 30.4 t0 -118.51 169.49 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.0 mm? -63.57 -46.53 85.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -36.8 63.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -79.01 -31.95 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 2' ' ' ASP . 0.3 OUTLIER -56.25 -55.06 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 1.3 ptm180 -68.86 -29.33 67.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.449 ' N ' ' HG2' ' A' ' 7' ' ' ARG . . . -68.21 -49.01 63.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.578 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -69.42 -31.99 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.578 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.35 -31.23 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.08 -48.34 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.84 -36.2 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.54 ' HA ' ' HG ' ' A' ' 16' ' ' LEU . 3.3 t -67.89 -34.71 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -61.87 -40.96 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -44.82 96.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.572 ' CD1' ' CD2' ' A' ' 60' ' ' LEU . 4.3 pp -75.19 -30.01 60.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -71.11 -33.03 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.62 -40.93 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 89.9 m-70 -75.25 -33.32 61.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.18 54.13 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -124.43 133.15 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' VAL . 5.6 m -120.45 -158.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 5.8 mmt85 37.37 31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.509 ' CG1' ' SG ' ' A' ' 17' ' ' CYS . 3.4 m -49.14 103.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -152.46 155.55 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.12 122.93 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.541 ' CG ' HG22 ' A' ' 88' ' ' VAL . 4.6 p90 -123.0 147.88 46.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.83 -169.8 13.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -37.44 80.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 m -59.25 -34.16 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.76 -42.42 88.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -1.44 37.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.48 37.68 9.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -119.93 125.68 49.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 173.73 122.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.39 -174.98 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.26 -2.35 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -130.61 23.13 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.421 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 2.4 t -98.56 155.61 17.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -95.24 165.97 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -114.09 131.41 56.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -108.68 118.95 38.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.45 125.9 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' CD1' ' HG3' ' A' ' 77' ' ' GLU . 1.2 tp -100.15 114.88 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.56 130.94 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.67 123.14 39.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.789 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 54.1 m-85 -92.27 117.72 30.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.18 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -82.04 144.64 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.09 -24.31 30.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HD3' ' A' ' 52' ' ' ARG . 15.0 mmt180 -76.76 141.22 40.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.527 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 76.7 p -129.27 173.29 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.405 HD21 ' ND1' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -54.97 -32.27 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -43.12 72.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.85 -36.83 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.5 m170 -59.31 -52.07 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.41 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HA ' ' CD2' ' A' ' 62' ' ' LEU . 11.5 mmt85 -63.56 -36.74 84.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.572 ' CD2' ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -75.9 -46.02 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.517 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.94 -40.97 81.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.517 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -73.8 -37.11 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.92 79.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.436 ' CD2' HD21 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -70.84 -37.09 73.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' GLY . 45.1 mt-10 -69.52 -27.09 64.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.89 -44.28 47.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.7 -45.31 90.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD12 ' CZ ' ' A' ' 9' ' ' ARG . 4.2 mt -83.22 -14.59 52.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 53.88 17.6 7.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.99 176.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.79 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.04 133.14 50.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.458 ' CG2' HD13 ' A' ' 68' ' ' LEU . 38.5 t -133.68 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 110.88 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 42.3 mt -99.84 142.19 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 18.5 t -126.59 145.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 2.3 p -106.34 122.04 45.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 45' ' ' LEU . 9.4 mt-10 -43.98 -34.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -68.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.71 -22.1 8.01 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.4 mt -60.54 -175.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -111.16 168.55 7.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -45.16 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.047 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -79.02 -24.65 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -43.29 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 88' ' ' VAL . 57.5 ttt180 -54.99 -50.04 69.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -63.37 -37.64 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -72.57 -40.25 66.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.541 HG22 ' CG ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.39 -48.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 2.4 mt -53.44 -51.4 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -52.6 -23.97 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.7 -31.68 12.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -58.37 132.29 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.3 pt -119.37 147.55 43.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.5 23.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.3 m -67.13 84.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.08 30.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' CE ' ' HE ' ' A' ' 9' ' ' ARG . 84.9 mmm -61.77 -171.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -165.76 156.9 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 4.2 mm? -62.04 -45.73 92.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -67.01 -39.52 87.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.528 ' CD2' ' CZ ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -55.83 -36.13 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -73.39 -39.05 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -51.6 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.54 ' CZ ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.31 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.88 -39.98 93.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.28 -48.14 82.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' CYS . 3.8 t -63.92 -35.17 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -63.61 -44.1 94.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -35.66 72.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.52 -43.93 46.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.57 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 3.7 m -58.72 -41.56 86.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.0 74.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.36 63.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.57 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 30.5 m-70 -92.33 -6.14 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.89 -22.19 21.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.07 118.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ALA . 1.3 m -113.51 -37.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.65 52.8 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 14' ' ' LEU . 14.2 p -67.94 107.15 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -152.36 156.4 39.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.487 HG11 ' CA ' ' A' ' 32' ' ' ALA . 2.4 t -102.12 118.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 2.6 p90 -122.86 134.3 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.91 -157.75 14.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -31.62 65.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.416 HG21 ' CG1' ' A' ' 27' ' ' VAL . 30.6 m -58.74 -48.39 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' CA ' HG11 ' A' ' 27' ' ' VAL . . . -53.61 -33.09 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 9.49 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.76 42.67 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.97 129.99 24.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.31 94.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.99 158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.94 -4.11 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.315 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.5 6.23 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -106.28 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . 6.0 m-20 -109.87 -174.21 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' CD2' HD12 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -112.05 123.4 50.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -97.84 131.07 44.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 42' ' ' LEU . 85.6 mt -135.22 126.54 28.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 7.2 tp -96.71 113.55 25.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -136.74 153.75 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 23' ' ' VAL . . . -127.92 121.02 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.717 ' CD1' ' NE2' ' A' ' 57' ' ' HIS . 22.1 m-85 -91.25 132.84 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 pp20? -100.23 162.99 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -36.81 133.04 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.76 -1.1 12.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -133.04 161.25 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 p -136.24 175.84 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -26.98 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -43.87 95.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.717 ' NE2' ' CD1' ' A' ' 48' ' ' PHE . 6.5 m170 -56.85 -52.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.432 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -68.55 -41.55 79.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.99 -43.85 97.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HG ' ' CG ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -57.62 -38.11 74.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HG3' ' CD2' ' A' ' 62' ' ' LEU . 2.5 tptm -59.92 -52.24 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -57.73 -40.77 80.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . . . -58.93 -35.96 73.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.492 ' CD2' HD23 ' A' ' 16' ' ' LEU . 2.9 mt -72.11 -46.18 57.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 36.2 mt-10 -57.05 -26.87 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 -51.32 8.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.05 -42.91 62.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.54 ' HG ' ' CZ ' ' A' ' 9' ' ' ARG . 9.0 mp -79.43 -10.86 59.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 65' ' ' GLU . . . 43.5 23.89 0.35 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 15.7 m -155.37 154.86 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -40.67 135.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 3.7 t -133.76 139.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -120.96 110.59 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.477 HG23 ' CG2' ' A' ' 46' ' ' VAL . 64.3 mt -96.59 144.77 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.47 ' CG1' HD22 ' A' ' 80' ' ' LEU . 2.4 t -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' GLY . 24.3 p -112.36 122.05 46.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -42.2 -43.23 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.11 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.45 -38.92 51.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -58.12 144.69 39.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.05 166.19 46.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -77.33 -25.35 51.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -82.96 -34.19 26.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 20.3 ttt180 -53.24 -50.24 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -54.62 -41.46 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -72.16 -36.74 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 84' ' ' LEU . 40.7 t -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 16.2 mt -56.43 -44.21 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -53.59 -23.95 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -102.99 -38.15 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.0 123.73 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.3 pp -121.98 125.83 26.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.503 ' CD2' ' HB3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 0.6 OUTLIER -72.69 108.04 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' -1' ' ' SER . 11.4 m80 -160.14 110.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.507 ' CE ' HD22 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -142.81 87.36 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.06 166.29 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -65.11 -47.69 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.7 -44.33 90.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.43 HG23 ' NH2' ' A' ' 9' ' ' ARG . 1.0 OUTLIER -69.87 -32.86 71.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.438 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -58.28 -42.35 86.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.485 ' HA ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.01 -28.65 62.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.5 -56.17 25.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.686 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -78.28 -31.73 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.686 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.55 -34.1 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 -45.11 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.666 ' N ' ' O ' ' A' ' 9' ' ' ARG . 73.0 t -55.68 -45.28 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 HD21 ' CG1' ' A' ' 25' ' ' VAL . 6.9 mt -58.2 -43.85 87.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -36.76 85.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -76.96 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -54.45 -41.75 69.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.323 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -20.02 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' CD2' HD13 ' A' ' 60' ' ' LEU . 75.2 m-70 -93.63 -8.96 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.64 -19.43 21.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 18' ' ' ALA . . . -56.1 111.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 HG21 ' CB ' ' A' ' 47' ' ' ALA . 18.0 m -103.5 -53.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' N ' ' CG2' ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.59 72.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.509 ' CG1' HD21 ' A' ' 14' ' ' LEU . 19.7 m -73.66 99.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.57 155.93 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 44' ' ' LEU . 2.0 t -108.3 123.78 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.0 p90 -125.11 135.12 52.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.87 -156.88 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -30.31 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 HG13 ' CD2' ' A' ' 42' ' ' LEU . 74.2 t -57.03 -49.2 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' CB ' HG12 ' A' ' 93' ' ' ILE . . . -57.49 -32.93 67.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -10.29 59.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.04 9.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' ' CB ' ' A' ' 36' ' ' ALA . 2.3 mm-40 -124.66 125.87 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 35' ' ' GLU . . . 170.08 93.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -175.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.9 1.72 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.39 -1.99 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.7 t -90.38 170.83 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.17 173.2 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 31' ' ' VAL . 1.8 tm? -115.16 115.47 26.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.418 ' N ' HD21 ' A' ' 42' ' ' LEU . 3.2 m-20 -98.24 117.26 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' CD1' HG12 ' A' ' 27' ' ' VAL . 1.1 tp -129.51 125.76 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -100.43 111.78 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.413 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 1.1 m -129.99 159.52 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' CB ' HG21 ' A' ' 23' ' ' VAL . . . -117.99 125.45 50.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.637 ' CD2' ' NE2' ' A' ' 57' ' ' HIS . 38.6 m-85 -92.29 117.76 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.435 ' HG2' ' CG1' ' A' ' 23' ' ' VAL . 6.2 mm-40 -44.76 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.03 111.36 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.83 -11.65 5.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.88 136.95 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -105.8 164.39 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -27.76 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -42.86 79.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 m-20 -70.27 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.637 ' NE2' ' CD2' ' A' ' 48' ' ' PHE . 11.9 m170 -59.23 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.34 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -66.22 -38.55 88.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' ' 20' ' ' HIS . 8.6 tp -61.87 -51.45 68.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.51 -48.06 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.18 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.52 -41.72 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD13 ' CG1' ' A' ' 13' ' ' VAL . 4.1 mt -70.92 -35.39 72.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' GLY . 46.3 mt-10 -66.26 -26.26 67.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.32 -51.02 18.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -65.92 -42.35 90.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.529 ' CD2' ' CD ' ' A' ' 9' ' ' ARG . 1.6 mt -81.42 -15.46 55.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.82 21.69 2.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 m -145.06 150.87 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -39.78 127.81 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 65' ' ' GLU . 39.3 t -133.5 132.51 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -113.44 133.5 55.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.493 ' CD1' ' HG ' ' A' ' 60' ' ' LEU . 57.5 mt -120.52 143.01 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 25.4 t -120.44 141.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 85.0 p -106.5 120.7 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -40.6 -38.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -62.16 -51.28 68.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 -19.19 67.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.5 mt -67.85 173.53 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 85' ' ' ARG . . . -105.32 168.43 8.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.29 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.85 -25.57 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 44.0 mt -83.41 -44.95 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 46.0 ttt180 -52.26 -50.61 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.38 -40.91 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -72.05 -36.22 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.426 HG12 ' CG ' ' A' ' 28' ' ' PHE . 41.7 t -62.93 -46.09 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.45 -43.07 75.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -54.0 -23.66 14.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 93' ' ' ILE . 2.9 mm-40 -104.24 -39.62 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.47 127.57 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 32' ' ' ALA . 1.8 pp -134.74 148.17 66.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 140.89 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.516 ' HG ' ' CG ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.544 ' SD ' HD21 ' A' ' 6' ' ' LEU . 1.6 ttm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.509 0.195 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' HD22 ' A' ' 6' ' ' LEU . 21.1 m-20 -128.75 152.55 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.676 HD21 ' HA2' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -56.17 -46.2 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.63 -37.64 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 m -78.71 -33.38 46.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.544 HD21 ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -54.67 -39.84 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -31.92 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -60.61 -52.6 64.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -76.0 -33.73 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.955 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.84 -33.73 67.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -47.7 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.48 -39.85 67.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 9' ' ' ARG . 52.4 t -59.47 -37.45 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.955 HD12 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.24 -42.22 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -43.94 97.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.698 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.3 pp -75.35 -35.49 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.742 ' SG ' HD11 ' A' ' 60' ' ' LEU . 1.4 m -59.08 -40.91 86.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.523 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 42.7 m80 -67.71 -36.59 80.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.17 57.01 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -131.31 108.12 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 24' ' ' ARG . 18.0 m -93.18 -53.41 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.544 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -74.38 62.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG11 ' HG ' ' A' ' 14' ' ' LEU . 3.4 t -82.63 93.61 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' CB ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -142.91 156.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 t -101.48 125.26 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.631 ' CG ' HG13 ' A' ' 88' ' ' VAL . 2.8 p90 -125.23 134.51 52.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.96 -158.58 17.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -30.04 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.895 HG11 ' CD1' ' A' ' 42' ' ' LEU . 77.6 t -57.86 -49.37 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.72 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -9.25 59.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.676 ' HA2' HD21 ' A' ' 3' ' ' LEU . . . 91.35 39.71 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.8 mm-40 -134.01 126.39 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 169.76 114.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -175.11 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.96 -1.22 30.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -121.23 12.79 11.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.0 t -101.88 165.92 10.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 167.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.895 ' CD1' HG11 ' A' ' 31' ' ' VAL . 44.0 tp -111.15 110.24 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 70.5 m-20 -90.47 119.23 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.475 HD21 ' NH1' ' A' ' 10' ' ' ARG . 1.1 mp -129.25 125.77 37.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 1.3 tm? -104.8 112.48 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.55 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -123.67 155.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -119.81 120.46 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.704 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 99.1 m-85 -92.61 125.8 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.82 -155.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.49 144.55 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.01 -22.95 35.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -76.83 130.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -118.04 174.06 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.62 -27.81 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -54.2 -43.02 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.81 -36.3 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.704 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -60.41 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -60.22 -41.16 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -63.84 -38.61 91.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.742 HD11 ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -74.89 -42.75 57.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.98 -40.74 96.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.785 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -73.7 -37.42 65.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.43 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -67.95 -36.3 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.67 ' CD2' HG13 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -67.48 -46.07 74.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 24.8 mt-10 -64.01 -31.88 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 -50.6 11.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.92 90.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.687 HD21 HH21 ' A' ' 10' ' ' ARG . 7.8 mp -82.55 -13.2 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 51.97 20.05 5.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 72' ' ' VAL . 17.7 m -143.3 153.01 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -46.04 133.23 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 70' ' ' VAL . 72.8 t -133.99 125.75 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -104.79 118.23 36.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.55 HG23 ' CG2' ' A' ' 46' ' ' VAL . 78.8 mt -107.47 144.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 21.8 t -130.31 146.54 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 p -105.39 127.67 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.579 ' OE2' HD21 ' A' ' 89' ' ' LEU . 4.6 mt-10 -47.48 -37.49 11.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -58.88 -73.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.32 -27.93 4.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 45' ' ' LEU . 2.7 mt -55.4 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.891 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -111.32 168.36 7.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.95 -44.34 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -78.38 -24.84 46.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.025 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -83.37 -48.28 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 25.9 ttt180 -52.83 -50.8 62.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 89' ' ' LEU . 42.7 mt-10 -55.09 -42.61 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.26 -36.63 69.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 84' ' ' LEU . 60.3 t -61.93 -44.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 86' ' ' GLU . 6.5 mt -56.25 -47.28 78.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -53.69 -23.54 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.9 mm-40 -99.55 -39.08 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 26' ' ' ARG . . . -47.08 127.84 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.72 HG12 ' HB1' ' A' ' 32' ' ' ALA . 1.2 pp -126.07 123.97 24.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.412 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.5 Cg_endo -74.97 115.12 4.19 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 10' ' ' ARG . 1.7 tt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.531 ' CG ' HD21 ' A' ' 6' ' ' LEU . 1.9 ttm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.5 0.191 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 6' ' ' LEU . 63.1 m-20 -98.22 154.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.465 HD11 ' HA3' ' A' ' 34' ' ' GLY . 1.8 mm? -54.27 -46.29 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.72 -38.05 80.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.474 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 2.4 m -76.22 -30.41 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -54.46 -39.53 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -74.31 -41.83 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.29 66.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -33.83 76.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.95 -48.08 80.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.23 -46.49 88.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -70.44 -36.38 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.719 HG21 HD11 ' A' ' 68' ' ' LEU . 11.4 t -66.45 -34.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -65.13 -41.48 94.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -45.65 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.4 pp -73.6 -37.95 65.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.699 ' N ' HD12 ' A' ' 16' ' ' LEU . 1.9 m -58.99 -37.19 76.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.68 78.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.9 -18.49 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.867 ' HB3' HD22 ' A' ' 60' ' ' LEU . 10.1 m-70 -86.61 5.14 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 80.69 56.21 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -134.32 116.57 15.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.92 -39.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 2.2 mmt85 -84.27 53.41 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 HD13 ' A' ' 14' ' ' LEU . 4.3 m -66.19 105.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.68 155.23 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.47 116.58 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CG ' HG13 ' A' ' 88' ' ' VAL . 9.2 p90 -122.96 147.31 46.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.54 -163.8 12.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -33.65 74.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.82 HG22 ' HB2' ' A' ' 36' ' ' ALA . 16.2 t -59.14 -33.71 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.2 -39.21 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -17.85 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA3' HD11 ' A' ' 3' ' ' LEU . . . 102.8 25.28 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 4.1 tp10 -124.68 130.4 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.82 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -175.68 105.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.58 160.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.35 -0.73 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.38 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 176.6 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.65 170.34 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.977 HD11 HD13 ' A' ' 44' ' ' LEU . 1.2 tp -115.48 119.88 37.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.643 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.4 m-20 -86.41 112.57 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.977 HD13 HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -132.04 125.52 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.672 ' CD1' HD12 ' A' ' 80' ' ' LEU . 13.9 tp -102.21 115.78 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.03 159.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -122.79 120.69 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 85.1 m-85 -91.38 132.72 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.27 -172.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -82.15 147.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.09 -6.23 61.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -94.66 159.23 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.0 p -139.47 172.93 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -33.74 68.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -40.57 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -36.84 72.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.643 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 12.5 m170 -58.75 -51.79 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.83 79.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.859 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.4 mtm-85 -63.75 -38.4 90.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.867 HD22 ' HB3' ' A' ' 20' ' ' HIS . 8.0 tp -74.25 -45.27 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -58.02 -38.27 75.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -70.51 -34.89 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.76 74.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD21 HD11 ' A' ' 60' ' ' LEU . 2.5 mt -71.43 -37.8 71.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 12.2 mt-10 -58.86 -33.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.64 -50.57 11.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.51 -45.8 74.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.6 mp -80.85 -6.86 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 38.64 28.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 68' ' ' LEU . 22.0 m -156.43 156.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -38.75 140.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 64' ' ' LEU . 58.7 t -133.74 131.36 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.67 110.66 16.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.532 HG23 ' CG2' ' A' ' 46' ' ' VAL . 27.8 mt -99.95 144.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.474 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 45.6 t -127.3 145.02 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 79' ' ' GLY . 59.5 p -107.86 121.82 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.4 mt-10 -38.31 -46.82 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -48.98 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -64.73 -35.84 92.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD12 ' CD1' ' A' ' 45' ' ' LEU . 4.3 mt -55.73 178.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -113.67 170.96 4.78 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.03 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -25.26 44.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.895 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.8 mp -83.43 -48.69 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.622 ' HD3' HD11 ' A' ' 89' ' ' LEU . 5.2 ttm180 -53.31 -50.78 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 89' ' ' LEU . 20.8 mt-10 -54.96 -42.94 72.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -72.19 -36.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 84' ' ' LEU . 53.6 t -62.76 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.622 HD11 ' HD3' ' A' ' 85' ' ' ARG . 10.2 mt -55.82 -42.43 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -23.86 22.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 93' ' ' ILE . 14.9 mm-40 -102.15 -47.81 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -43.61 141.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 91' ' ' GLU . 48.2 pt -140.8 126.18 11.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.83 ' HE1' HD21 ' A' ' 6' ' ' LEU . 8.8 ptm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.8 m-20 -157.33 157.2 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.702 HD11 ' HA2' ' A' ' 34' ' ' GLY . 3.2 mm? -58.56 -45.45 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.19 -37.33 84.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.83 HD21 ' HE1' ' A' ' 1' ' ' MET . 0.8 OUTLIER -57.69 -40.79 80.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.9 mmt180 -64.16 -41.78 97.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.93 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.74 -30.63 68.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.828 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.95 -45.63 78.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.65 -44.83 85.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 67' ' ' LEU . . . -71.92 -36.15 69.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 68' ' ' LEU . 19.5 t -68.8 -34.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.803 HD13 HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.22 -42.07 89.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -46.03 87.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.3 pp -73.32 -36.25 66.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.66 ' N ' HD12 ' A' ' 16' ' ' LEU . 2.1 m -58.04 -40.61 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.52 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -32.86 63.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.735 ' CB ' HD22 ' A' ' 60' ' ' LEU . 46.0 m80 -82.12 5.34 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 84.75 69.43 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -140.82 112.38 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -107.41 -40.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -84.84 50.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.803 HG21 HD13 ' A' ' 14' ' ' LEU . 2.8 p -65.99 105.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -152.41 155.38 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG13 HG12 ' A' ' 93' ' ' ILE . 5.6 p -114.8 114.62 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.658 ' HB3' ' HB2' ' A' ' 92' ' ' ALA . 9.0 p90 -121.76 147.92 45.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.41 -171.57 14.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.677 HG11 ' HA ' ' A' ' 42' ' ' LEU . 27.3 m -59.8 -40.13 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.34 -33.47 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -90.04 8.71 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.702 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 73.94 45.98 24.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.591 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 7.3 mm-40 -133.07 126.98 33.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . 170.66 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' ALA . 4.1 ptp180 -52.06 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -10.54 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.19 29.88 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -112.07 166.8 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.67 171.27 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.127 HD11 HD13 ' A' ' 44' ' ' LEU . 1.5 tm? -112.3 120.0 40.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.449 ' N ' HD13 ' A' ' 42' ' ' LEU . 14.4 m-20 -98.11 114.21 26.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.127 HD13 HD11 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -129.61 125.1 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.649 HD11 ' HG2' ' A' ' 77' ' ' GLU . 7.9 tp -100.5 113.34 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.598 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -130.68 159.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.59 121.94 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 71.7 m-85 -92.2 126.55 37.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.59 -174.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.33 150.65 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.94 72.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -95.62 139.49 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -116.09 168.9 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -29.43 63.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.18 -42.26 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.07 -36.96 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.599 ' NE2' ' CG ' ' A' ' 48' ' ' PHE . 23.7 m170 -59.8 -48.12 82.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.4 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.689 ' HA ' HD23 ' A' ' 62' ' ' LEU . 6.3 mtt180 -68.69 -34.91 76.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.735 HD22 ' CB ' ' A' ' 20' ' ' HIS . 1.8 tp -66.66 -46.11 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -64.26 -39.96 95.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -67.34 -36.78 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.06 68.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.621 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -69.16 -48.86 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 57.2 mt-10 -60.49 -27.43 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.8 -52.19 12.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -70.16 -41.71 73.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.872 HD22 HG21 ' A' ' 72' ' ' VAL . 7.5 mp -79.95 -13.12 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 41.73 24.95 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 68' ' ' LEU . 26.0 m -148.29 156.28 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.97 131.86 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.872 HG21 HD22 ' A' ' 68' ' ' LEU . 2.7 t -133.84 136.16 54.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.21 110.8 16.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.598 HG23 ' CG2' ' A' ' 46' ' ' VAL . 61.5 mt -96.16 145.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.496 HG12 HD13 ' A' ' 45' ' ' LEU . 2.1 t -121.76 141.99 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' GLY . 6.0 p -110.63 121.09 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.649 ' HG2' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.74 -46.68 88.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.46 -36.56 54.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.08 139.99 56.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -80.52 172.03 10.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.94 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -26.58 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.018 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.1 mp -81.6 -38.63 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.523 ' HG2' HD11 ' A' ' 89' ' ' LEU . 33.4 ttm180 -53.5 -50.47 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -41.99 72.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -71.8 -36.61 70.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 84' ' ' LEU . 48.7 t -64.52 -48.8 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -57.62 -40.75 79.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -24.16 15.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.6 mm-40 -105.8 -40.65 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -54.46 132.15 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 91' ' ' GLU . 32.9 pt -126.46 133.23 24.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.03 113.72 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.828 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.844 ' HG2' HD11 ' A' ' 6' ' ' LEU . 1.8 ttm . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.505 0.193 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 6' ' ' LEU . 8.2 m-20 -126.34 158.18 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.9 mm? -63.24 -47.18 83.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.56 -41.67 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -74.77 -33.46 62.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 1' ' ' MET . 0.3 OUTLIER -57.28 -35.84 70.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -69.78 -40.11 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.92 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.11 -36.61 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HD3' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -60.68 -44.75 96.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.11 -45.87 89.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.55 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 9' ' ' ARG . 54.6 t -68.05 -36.84 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.46 -42.88 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -34.7 74.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.006 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -75.37 -41.6 56.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.971 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.83 -41.44 86.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.43 77.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -38.78 77.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 11.5 m-70 -67.64 -36.83 81.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.568 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 128.04 41.72 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -114.24 110.83 20.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 24' ' ' ARG . 18.2 m -91.42 -52.96 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.529 ' N ' HG23 ' A' ' 23' ' ' VAL . 8.5 mmt-85 -78.09 85.82 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CB ' HD13 ' A' ' 14' ' ' LEU . 3.4 m -89.73 103.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.54 156.13 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 HD12 ' A' ' 44' ' ' LEU . 2.3 p -122.71 125.16 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.77 ' CG ' HG13 ' A' ' 88' ' ' VAL . 6.1 p90 -123.07 148.59 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.98 -165.19 16.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -69.69 -36.91 76.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 36' ' ' ALA . 90.3 t -58.23 -33.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' HD11 ' A' ' 93' ' ' ILE . . . -53.58 -39.99 65.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -17.96 48.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.89 37.03 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.1 mm-40 -122.61 129.63 52.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 169.69 109.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.76 -0.39 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.65 29.21 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.9 t -103.13 164.81 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -102.13 161.71 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -114.48 119.67 37.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.518 ' N ' HD22 ' A' ' 42' ' ' LEU . 11.8 m-20 -98.63 125.42 43.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.8 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.81 125.41 35.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.691 ' HG ' HG11 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -99.59 112.38 24.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.42 159.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' CD ' ' A' ' 77' ' ' GLU . . . -123.56 120.08 31.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.77 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 98.9 m-85 -93.06 129.57 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' CD ' HG11 ' A' ' 23' ' ' VAL . 9.1 mm-40 -53.71 -171.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.77 16.73 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.42 34.1 2.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 29.2 mmt180 -131.12 159.36 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.2 p -128.93 168.97 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -60.87 -32.35 71.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -43.25 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 20' ' ' HIS . 8.7 t0 -70.51 -36.46 73.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.77 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.62 -51.89 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.626 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -66.48 -39.77 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -62.58 -34.27 76.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.841 HD11 ' SG ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -71.12 -35.14 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.45 -37.01 84.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -66.61 -30.8 71.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.006 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -72.73 -45.05 60.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.715 HD22 HG13 ' A' ' 13' ' ' VAL . 1.9 mt -64.37 -41.79 96.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 3.2 mt-10 -60.46 -36.26 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.66 -51.07 9.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD22 ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.45 -45.67 86.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.647 HD11 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -81.52 -13.45 58.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 50.24 20.23 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 68' ' ' LEU . 19.9 m -142.17 164.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -55.01 138.6 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.714 HG13 HD12 ' A' ' 42' ' ' LEU . 81.8 t -133.2 139.48 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -121.8 111.57 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.66 HG23 ' CG2' ' A' ' 46' ' ' VAL . 56.1 mt -101.78 144.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.5 t -135.66 145.42 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 p -107.85 130.02 55.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.523 ' CD ' ' HB2' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -48.3 -41.48 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -23.55 67.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -96.22 -16.18 38.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.6 mt -74.15 -178.8 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -104.8 166.11 12.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 -44.41 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -77.85 -26.59 49.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.784 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -83.79 -40.51 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 16.1 ttt-85 -52.76 -50.11 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.68 -38.39 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.9 -34.94 69.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.77 HG13 ' CG ' ' A' ' 28' ' ' PHE . 97.8 t -71.95 -34.27 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 95.5 mt -64.2 -51.67 62.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 12.9 ptm180 -66.03 -40.54 91.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 93' ' ' ILE . 64.2 mm-40 -70.26 -55.95 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 88' ' ' VAL . . . -39.75 158.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 91' ' ' GLU . 44.4 pt -147.83 133.49 9.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.05 114.42 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD13 ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.521 0.201 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' HD22 ' A' ' 6' ' ' LEU . 6.3 m-20 -107.43 166.3 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.831 HD21 ' HA3' ' A' ' 34' ' ' GLY . 1.9 mp -69.78 -45.22 68.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -43.95 63.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -72.8 -33.15 66.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.83 -34.59 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -72.03 -41.14 67.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -52.09 65.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -65.04 -33.34 75.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.756 HH12 HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.64 -35.22 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.36 -47.84 59.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.79 72.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 9' ' ' ARG . 12.7 t -67.44 -36.54 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.08 -43.42 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.5 t -67.92 -35.53 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.96 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.99 -41.09 52.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.96 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.25 -30.84 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.07 -33.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -18.88 61.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 63.1 m80 -98.27 -34.57 10.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 123.64 75.81 0.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -145.76 103.24 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -101.98 -36.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 28.6 mmt180 -83.34 49.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 14' ' ' LEU . 3.3 m -66.6 101.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -152.07 155.22 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.756 HG21 HH12 ' A' ' 10' ' ' ARG . 3.1 t -111.55 125.51 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 3.7 p90 -124.45 137.18 54.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.67 -162.2 12.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -31.24 66.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.01 HG12 ' HB2' ' A' ' 36' ' ' ALA . 20.6 m -58.14 -45.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.884 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.12 -32.48 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -18.52 37.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.831 ' HA3' HD21 ' A' ' 3' ' ' LEU . . . 106.99 31.39 3.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -123.35 126.4 46.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 1.01 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -175.64 111.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.81 160.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -80.38 -3.63 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.92 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 -172.93 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.2 167.06 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.836 HD11 HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -108.37 118.38 36.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.712 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.2 m-20 -83.96 122.96 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.836 HD13 HD11 ' A' ' 42' ' ' LEU . 2.6 tp -132.83 125.31 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.863 HD11 ' HG2' ' A' ' 77' ' ' GLU . 10.4 tp -96.13 116.98 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.49 156.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.16 122.31 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.665 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 96.2 m-85 -92.85 122.79 35.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.18 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.75 150.35 29.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -34.53 5.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -77.7 158.3 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.7 p -136.41 174.04 11.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.44 66.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -44.31 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -70.14 -37.01 75.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.665 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.57 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.629 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -65.86 -36.74 84.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.928 HD21 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.24 -45.69 90.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.76 -44.4 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -65.41 -35.54 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.39 -37.87 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 60' ' ' LEU . 1.7 mt -69.01 -36.72 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' GLY . 33.9 mt-10 -63.92 -29.25 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.74 -50.57 13.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 13' ' ' VAL . 6.7 mt -65.8 -43.25 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 11.2 mt -82.28 -14.77 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.23 18.45 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.496 HG21 ' SD ' ' A' ' 1' ' ' MET . 13.1 m -146.94 164.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -50.3 136.27 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 70' ' ' VAL . 2.5 t -133.6 140.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' LEU . 3.5 t70 -122.17 114.29 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 60.0 mt -102.81 142.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG11 HD21 ' A' ' 80' ' ' LEU . 2.5 t -117.09 144.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' ARG . 12.7 p -114.97 120.55 40.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.863 ' HG2' HD11 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -38.4 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.59 -51.79 68.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -66.15 -38.58 94.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -55.64 136.53 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -70.54 165.76 42.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 -25.01 49.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.952 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -82.99 -36.45 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HD3' HD11 ' A' ' 89' ' ' LEU . 7.3 ttm180 -52.75 -50.82 62.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.817 ' HA ' HD12 ' A' ' 89' ' ' LEU . 1.1 tt0 -54.14 -42.87 70.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.35 -36.74 68.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 80' ' ' LEU . 39.6 t -64.85 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 86' ' ' GLU . 8.9 mt -56.2 -45.92 79.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -23.31 9.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 93' ' ' ILE . 18.2 mm-40 -103.8 -26.53 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -59.72 123.42 16.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.884 HG12 ' HB1' ' A' ' 32' ' ' ALA . 2.2 pp -121.0 144.25 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.1 Cg_endo -75.03 145.16 31.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 95' ' ' LEU . 1.9 tm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 1.05 ' CE ' HD11 ' A' ' 6' ' ' LEU . 6.3 ptm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.783 ' O ' HD13 ' A' ' 6' ' ' LEU . 6.3 m-20 -164.74 -176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.593 HD21 ' CA ' ' A' ' 34' ' ' GLY . 1.7 mp -69.3 -46.33 67.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -46.31 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.14 -34.39 72.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.05 HD11 ' CE ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -57.48 -39.17 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.36 64.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.49 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.078 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.1 -30.85 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.33 -46.72 76.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.53 -43.8 93.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.52 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.078 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 9.9 t -67.15 -36.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.2 -38.62 91.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.03 -42.9 96.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 64' ' ' LEU . 4.3 pp -75.91 -31.67 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.58 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -56.61 -42.47 78.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.326 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -69.18 -33.06 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -73.76 -36.92 65.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.909 ' HB2' HD22 ' A' ' 60' ' ' LEU . 66.5 m80 -84.79 5.34 28.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.49 72.29 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -140.61 108.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.553 HG23 ' N ' ' A' ' 24' ' ' ARG . 17.3 m -97.19 -54.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.553 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -75.87 75.21 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.551 HG11 HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -85.99 112.1 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.77 155.18 37.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.71 114.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.738 ' CD2' HG13 ' A' ' 88' ' ' VAL . 19.6 p90 -122.36 147.99 45.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 119.71 -165.72 13.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.82 70.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.944 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.717 HG21 HD23 ' A' ' 42' ' ' LEU . 36.7 t -62.53 -34.98 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -58.34 -41.35 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -2.21 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.593 ' CA ' HD21 ' A' ' 3' ' ' LEU . . . 83.89 31.94 25.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 3.6 tp10 -125.17 127.8 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -159.86 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.57 -179.93 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.05 -0.68 57.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -106.91 -7.21 17.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -112.76 -179.01 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.6 173.42 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.02 HD12 HG13 ' A' ' 72' ' ' VAL . 1.4 tm? -102.18 123.36 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -102.3 116.85 33.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.969 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.88 126.09 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' CD1' ' A' ' 80' ' ' LEU . 6.9 tp -98.36 115.22 27.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.48 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -127.64 158.16 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -128.13 120.33 27.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.795 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 88.4 m-85 -93.12 124.17 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' OE2' HG11 ' A' ' 23' ' ' VAL . 1.9 mm-40 -61.69 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.71 145.59 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.87 -20.5 46.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HE ' ' N ' ' A' ' 52' ' ' ARG . 2.3 mmp_? -76.7 126.23 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 0.806 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -109.78 174.08 6.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -27.13 58.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -44.52 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -71.21 -36.97 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.795 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -65.53 -50.2 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.552 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.14 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.55 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.8 mtm180 -68.93 -35.5 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 20' ' ' HIS . 1.3 tp -66.17 -48.2 71.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -41.98 97.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -71.88 -33.76 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -68.97 -37.53 78.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 16' ' ' LEU . 1.2 mt -70.79 -40.68 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 58.0 mt-10 -71.56 -27.13 62.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.79 -45.51 34.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -63.94 -45.83 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.942 ' O ' HG13 ' A' ' 70' ' ' VAL . 41.6 mt -85.27 -10.09 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.46 19.34 4.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.942 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.4 m -127.86 -171.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HA ' ' OE2' ' A' ' 65' ' ' GLU . 8.4 mmt180 -84.55 132.81 34.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.02 HG13 HD12 ' A' ' 42' ' ' LEU . 51.4 t -133.74 145.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.04 113.29 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.48 HG23 ' CG2' ' A' ' 46' ' ' VAL . 6.9 mt -99.03 144.2 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.505 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.6 t -131.16 145.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 79' ' ' GLY . 62.1 p -109.47 123.91 50.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -42.6 -51.98 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.19 56.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -83.13 -20.17 61.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.658 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.0 mt -70.33 -174.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -113.74 170.25 5.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -78.88 -24.39 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.93 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.4 mp -82.52 -46.93 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 89' ' ' LEU . 20.9 ttm180 -53.1 -50.09 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.75 -41.07 85.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -71.88 -36.59 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.738 HG13 ' CD2' ' A' ' 28' ' ' PHE . 54.3 t -64.0 -50.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 7.1 mt -56.53 -38.42 71.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -26.75 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.7 mm-40 -106.21 -44.28 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.622 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -43.76 140.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 91' ' ' GLU . 30.9 pt -139.57 128.8 13.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.494 HD13 ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.476 0.179 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 9.7 m-20 -103.6 145.78 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.09 -45.9 71.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -56.36 -41.54 76.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -73.48 -31.74 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.579 HD13 ' HD3' ' A' ' 9' ' ' ARG . 1.5 mm? -55.61 -35.7 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -43.45 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.33 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.772 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -34.86 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' O ' HD23 ' A' ' 14' ' ' LEU . 4.4 mtt-85 -66.31 -31.86 72.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -46.77 63.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -36.59 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 9' ' ' ARG . 54.8 t -67.21 -35.04 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.838 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.62 -43.63 97.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -36.55 80.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.895 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.23 -39.52 59.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.895 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.67 -43.05 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.58 70.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -18.87 62.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 1.026 ' HB2' HD22 ' A' ' 60' ' ' LEU . 95.8 m-70 -100.0 6.65 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.627 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 91.08 -14.04 64.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 138.22 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -139.03 -47.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -69.31 58.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.838 HG21 ' CD1' ' A' ' 14' ' ' LEU . 24.7 m -67.58 104.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.62 154.79 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 44' ' ' LEU . 2.0 t -112.28 122.12 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CD1' HG13 ' A' ' 88' ' ' VAL . 4.4 p90 -124.95 134.26 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.39 -160.33 14.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -30.98 64.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.794 HG11 ' HA ' ' A' ' 42' ' ' LEU . 29.5 m -57.26 -48.44 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.27 -35.55 60.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 6.45 24.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.67 48.8 11.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.9 mp0 -131.45 125.0 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 169.34 104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -166.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.17 17.95 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -151.3 22.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 173.56 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.27 151.75 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.794 ' HA ' HG11 ' A' ' 31' ' ' VAL . 51.6 tp -102.23 110.14 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.665 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.2 m-20 -91.4 119.62 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 43' ' ' ASP . 3.6 mp -132.01 125.66 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD22 HG11 ' A' ' 88' ' ' VAL . 9.7 tp -102.71 112.54 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.733 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -129.72 159.45 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -125.79 128.87 48.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 41.9 m-85 -90.39 115.94 27.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 16.1 pt-20 -79.63 -143.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.2 mt-10 -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.59 38.63 4.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.628 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -132.38 159.28 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 p -141.59 165.12 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -58.26 -42.98 87.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -40.64 71.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -38.22 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.769 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m170 -59.52 -51.23 70.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.59 86.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' NH1' HD21 ' A' ' 62' ' ' LEU . 13.5 mtt-85 -63.38 -34.2 77.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.026 HD22 ' HB2' ' A' ' 20' ' ' HIS . 3.6 tp -62.4 -37.99 87.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 6.5 tptp -64.71 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.481 HD21 ' NH1' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -65.7 -40.83 92.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.755 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.53 -37.16 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.833 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -70.29 -33.46 71.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 19.0 mt-10 -67.6 -32.21 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.31 -51.22 13.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 13' ' ' VAL . 2.4 mt -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.733 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -82.76 -4.58 58.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.5 ' C ' HG13 ' A' ' 70' ' ' VAL . . . 39.64 28.03 0.12 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 68' ' ' LEU . 22.2 m -156.37 154.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -44.76 136.61 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.716 HG13 HD23 ' A' ' 42' ' ' LEU . 5.8 t -133.32 143.61 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -120.02 110.36 16.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.833 HD11 ' HG ' ' A' ' 64' ' ' LEU . 14.0 mt -104.98 145.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 17.6 t -134.81 144.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 p -104.66 120.87 42.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -41.33 -44.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.7 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.66 -33.52 66.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mt -56.29 172.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.94 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -106.75 170.84 5.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -79.3 -24.62 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -83.45 -49.34 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 17.5 ttm180 -53.88 -50.28 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -54.51 -40.9 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -71.89 -36.63 70.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 84' ' ' LEU . 39.9 t -63.09 -45.71 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 18.4 mt -55.88 -38.86 70.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -25.24 11.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.7 mm-40 -110.18 -29.6 8.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -51.86 124.69 13.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 91' ' ' GLU . 22.6 pt -122.99 142.73 38.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -74.98 134.02 17.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.821 ' C ' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.475 ' HG3' HD21 ' A' ' 6' ' ' LEU . 5.2 ttm . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.468 0.175 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.532 ' O ' HD22 ' A' ' 6' ' ' LEU . 14.9 m-20 -116.46 160.4 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -47.63 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -54.09 -40.42 67.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.3 m -76.59 -30.86 57.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.548 HD13 ' HD3' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.66 -35.85 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -43.57 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -52.57 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.741 ' NH1' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.17 -32.97 74.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.755 ' NH2' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -60.44 -48.74 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.92 -47.58 85.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -69.78 -36.1 75.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.728 HG23 HD22 ' A' ' 67' ' ' LEU . 16.0 t -68.61 -34.58 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.686 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.97 -42.51 94.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -62.79 -46.22 89.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.2 pp -73.01 -35.44 66.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.633 ' N ' HD12 ' A' ' 16' ' ' LEU . 1.3 m -58.45 -42.07 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.98 84.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -73.71 -18.7 60.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.859 ' HB3' HD22 ' A' ' 60' ' ' LEU . 8.6 m-70 -83.75 -34.61 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.3 -7.96 4.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -80.12 118.53 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.685 HG11 ' CD ' ' A' ' 49' ' ' GLU . 15.4 m -98.63 -49.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 23' ' ' VAL . 8.2 mtt180 -96.07 86.67 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.686 HG11 HD22 ' A' ' 14' ' ' LEU . 1.9 t -92.66 113.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 94' ' ' PRO . 1.1 mtt180 -145.78 155.79 43.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.641 HG11 HG12 ' A' ' 31' ' ' VAL . 2.0 t -102.64 124.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 3.1 p90 -124.11 133.61 53.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.97 -150.64 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -74.03 -31.57 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 42' ' ' LEU . 55.7 t -58.61 -38.87 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.19 -43.32 67.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -79.54 -18.21 52.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.63 4.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 8.1 mt-10 -126.59 131.33 51.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 162.32 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 40' ' ' SER . 9.4 ptp180 -121.98 -177.5 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.55 -7.36 57.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -112.07 15.77 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 41' ' ' ASP . 37.0 t -129.53 11.56 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.7 OUTLIER 52.07 173.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -116.76 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.65 ' N ' HD23 ' A' ' 42' ' ' LEU . 8.6 m-20 -75.95 111.86 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 42' ' ' LEU . 1.1 tp -131.21 125.42 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.615 HD11 ' CG ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -104.14 112.39 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.68 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -131.03 159.83 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.15 120.62 34.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.712 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 91.0 m-85 -91.71 129.75 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.685 ' CD ' HG11 ' A' ' 23' ' ' VAL . 5.1 mm-40 -63.02 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.6 126.42 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.77 -13.24 20.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -76.3 127.06 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -111.9 171.14 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -28.49 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -41.7 98.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.6 -36.95 73.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.712 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 11.9 m170 -61.74 -50.2 73.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.532 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.64 91.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.638 ' HA ' HD23 ' A' ' 62' ' ' LEU . 21.5 mtt-85 -63.49 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 20' ' ' HIS . 3.9 tp -74.79 -43.61 53.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.05 -38.57 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -72.93 -34.44 66.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.63 91.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.958 ' HB2' HG11 ' A' ' 72' ' ' VAL . 2.2 mt -72.66 -29.05 63.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 4.3 mt-10 -66.65 -32.6 74.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.7 10.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.84 -45.84 87.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.741 HD21 ' NH1' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -81.85 -14.54 56.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 49.9 17.68 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 68' ' ' LEU . 14.2 m -138.9 168.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.97 137.25 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.958 HG11 ' HB2' ' A' ' 64' ' ' LEU . 45.6 t -133.74 130.6 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -122.61 109.55 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.68 HG23 ' CG2' ' A' ' 46' ' ' VAL . 31.4 mt -98.35 145.04 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 33.4 t -132.48 138.73 51.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 p -100.06 121.06 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.615 ' CG ' HD11 ' A' ' 45' ' ' LEU . 67.4 mt-10 -41.01 -30.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -53.67 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.44 -24.01 72.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 80' ' ' LEU . 3.8 mt -62.31 -177.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.908 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -109.72 166.56 10.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.94 -45.32 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -79.22 -24.78 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.908 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 29.5 mt -83.46 -48.46 10.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 73.1 ttt180 -51.84 -50.09 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.46 -39.93 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.63 -35.94 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 45' ' ' LEU . 48.3 t -65.75 -43.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 37.0 mt -55.54 -47.03 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -23.76 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.5 mm-40 -100.02 -45.8 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.62 137.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.0 pp -134.86 121.2 14.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.42 ' N ' ' HG2' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.75 ' HE2' HD11 ' A' ' 6' ' ' LEU . 1.1 tpt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.471 0.176 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' HD13 ' A' ' 6' ' ' LEU . 85.8 m-20 -117.98 160.44 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.529 HD11 ' HA2' ' A' ' 34' ' ' GLY . 3.4 mm? -63.61 -46.62 84.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -43.85 72.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.17 -33.38 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -56.6 -38.29 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.439 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 7.7 mmm-85 -70.12 -42.94 71.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.94 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.989 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.1 -37.85 88.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.9 -46.97 87.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.989 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 5.6 t -66.61 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.732 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -62.72 -39.57 94.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -44.2 96.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.1 pp -74.13 -31.76 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.59 ' SG ' HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -57.75 -42.54 84.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.51 -33.56 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -71.21 -41.13 70.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 37.3 m80 -67.98 -34.47 76.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 120.97 42.35 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -114.53 117.09 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 24' ' ' ARG . 4.3 m -96.32 -50.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.614 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -82.79 110.23 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.732 HG21 ' CD1' ' A' ' 14' ' ' LEU . 15.8 m -119.75 106.4 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -152.62 154.79 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.578 ' C ' ' HB2' ' A' ' 32' ' ' ALA . 2.2 t -102.08 123.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 2.1 p90 -123.29 133.0 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.72 -160.0 14.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -32.96 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.686 HG11 ' HA ' ' A' ' 42' ' ' LEU . 21.0 m -58.77 -45.8 91.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB2' ' C ' ' A' ' 27' ' ' VAL . . . -56.9 -38.11 72.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.85 0.62 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.529 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 82.78 37.57 13.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.7 mm-40 -123.27 125.62 45.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 162.07 109.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -172.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.56 -5.02 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -124.97 34.34 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.537 ' OG ' ' HB1' ' A' ' 36' ' ' ALA . 90.7 p -117.43 169.48 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.72 163.46 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.75 126.34 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.714 ' N ' HD22 ' A' ' 42' ' ' LEU . 16.3 m-20 -104.7 125.49 50.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.613 ' HG ' HD11 ' A' ' 42' ' ' LEU . 80.3 mt -134.58 125.27 26.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -103.55 112.45 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.569 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.05 159.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -120.73 120.27 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.758 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 71.7 m-85 -93.94 132.34 38.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.39 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.29 16.32 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 28.51 3.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 27.4 mmt180 -125.3 146.86 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 p -117.0 172.89 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -60.38 -28.16 67.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -44.37 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.45 -36.94 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.758 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -59.37 -51.48 69.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -63.35 -38.75 92.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.71 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.46 -47.44 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 72' ' ' VAL . 1.2 tptm -57.31 -51.85 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.83 -36.02 82.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 59' ' ' ARG . . . -64.23 -39.79 94.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD21 ' CD2' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -72.21 -29.2 63.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.3 mt-10 -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -44.45 38.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.958 HD22 HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -64.37 -46.38 83.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 72' ' ' VAL . 3.4 mt -83.29 -14.56 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.04 20.11 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 68' ' ' LEU . 21.0 m -141.75 149.76 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -40.14 135.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG13 HD12 ' A' ' 42' ' ' LEU . 2.4 t -133.25 143.19 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 111.87 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.453 HG23 ' CG2' ' A' ' 46' ' ' VAL . 23.2 mt -102.22 137.31 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.3 t -120.1 145.54 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -114.62 131.32 56.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.17 -48.88 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -51.59 -54.42 27.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.4 -28.2 71.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -62.61 -175.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.767 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -116.34 169.93 6.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.33 -25.44 46.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.767 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 18.0 mt -83.39 -46.38 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 39.6 ttt180 -52.71 -51.29 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.718 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.1 tt0 -55.24 -41.58 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.29 69.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 84' ' ' LEU . 39.7 t -59.88 -42.55 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 86' ' ' GLU . 9.7 mt -56.19 -37.55 69.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -23.01 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.959 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.5 mm-40 -105.42 -43.95 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.26 116.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.959 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -118.77 144.76 36.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.6 Cg_endo -74.97 140.89 26.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.801 ' C ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.475 ' HE1' HD11 ' A' ' 6' ' ' LEU . 5.5 ptm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.656 ' O ' HD22 ' A' ' 6' ' ' LEU . 2.9 m-20 -149.16 161.75 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.67 -44.23 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.14 -44.9 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -62.34 -34.82 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -57.21 -44.25 83.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -70.99 -35.8 72.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -51.16 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.051 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.23 -30.9 68.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.69 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.62 -42.32 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.96 -46.56 87.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.83 -37.7 67.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.051 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 20.2 t -66.01 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.637 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.5 -42.79 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -33.74 72.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.928 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.49 -42.46 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.928 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -57.4 -42.62 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.276 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.45 70.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -72.61 -20.06 61.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.513 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 64.4 m80 -98.18 -4.38 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' C ' ' HA ' ' A' ' 48' ' ' PHE . . . 104.09 -13.29 52.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.755 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -61.75 129.99 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -49.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -78.84 60.26 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.708 ' HA ' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -78.06 101.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -138.41 156.39 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 31' ' ' VAL . 2.5 t -102.22 119.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 1.9 p90 -124.66 131.21 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.07 15.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -30.95 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG12 ' HB2' ' A' ' 36' ' ' ALA . 18.9 m -58.06 -42.47 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . . . -53.03 -36.79 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -18.34 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.73 33.25 4.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.38 125.1 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.78 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.641 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -177.57 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -49.9 178.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -13.87 60.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -111.44 39.45 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 19.3 m -142.92 169.61 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.31 178.92 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -115.19 116.61 28.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.81 ' N ' HD22 ' A' ' 42' ' ' LEU . 71.7 m-20 -89.87 119.87 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 42' ' ' LEU . 1.4 tp -135.53 125.13 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.717 HD13 HD12 ' A' ' 80' ' ' LEU . 12.2 tp -99.3 113.51 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -129.22 158.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -127.19 120.75 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 53.5 m-85 -88.48 125.45 34.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -124.61 177.69 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 71.98 -146.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.85 72.86 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -109.32 154.46 22.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 p -134.63 174.16 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -34.43 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -41.86 72.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -70.8 -37.4 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 10.6 m170 -59.07 -52.07 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.4 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.1 mmt85 -69.45 -34.02 73.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.918 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.63 -48.35 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -62.49 -45.79 91.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.736 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -67.66 -31.68 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.691 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.38 -45.83 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -60.3 -42.2 95.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 75.2 mt-10 -67.77 -26.8 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -49.42 23.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.77 -46.04 87.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.825 ' O ' HG13 ' A' ' 70' ' ' VAL . 17.1 mt -85.12 -5.7 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.11 22.86 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 68' ' ' LEU . 18.2 m -134.45 -175.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -79.85 130.41 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.779 HG13 HD12 ' A' ' 42' ' ' LEU . 11.7 t -133.27 136.73 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.07 111.37 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.693 HD11 ' HG ' ' A' ' 64' ' ' LEU . 27.8 mt -97.29 143.93 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.524 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 16.8 t -125.48 144.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 p -109.6 131.91 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.701 ' HG2' HD11 ' A' ' 45' ' ' LEU . 14.0 mt-10 -48.52 -46.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -48.37 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.83 -4.73 55.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.717 HD12 HD13 ' A' ' 45' ' ' LEU . 3.8 mt -88.16 -179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -102.59 164.37 15.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -25.12 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.976 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -83.32 -48.98 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.8 ttm180 -53.25 -50.92 63.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 89' ' ' LEU . 4.6 tt0 -54.74 -42.3 71.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -71.55 -37.05 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 84' ' ' LEU . 82.4 t -59.43 -37.03 67.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 86' ' ' GLU . 55.2 mt -55.94 -44.55 78.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.26 -23.39 8.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.6 mm-40 -103.1 -45.77 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -39.26 130.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pt -127.59 121.29 22.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' HD21 ' A' ' 6' ' ' LEU . 1.5 ttm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.533 0.206 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.609 ' O ' HD12 ' A' ' 6' ' ' LEU . 5.5 m-20 -133.73 158.9 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.74 -45.86 92.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -65.32 -44.65 87.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.3 m -66.1 -35.31 80.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -54.41 -42.89 70.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HD2' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -57.69 -28.32 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.32 -54.66 44.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.778 ' HB3' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -78.88 -32.23 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.809 ' NH2' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -55.33 -37.24 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.2 -46.36 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -71.37 -35.57 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.809 HG21 ' NH2' ' A' ' 10' ' ' ARG . 40.5 t -64.97 -34.33 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.701 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.52 -42.31 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -45.33 90.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.4 pp -73.64 -36.62 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.8 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.8 m -58.39 -41.26 84.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -67.98 -33.65 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -73.33 -18.13 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 37.6 m80 -93.84 4.76 53.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.58 -24.73 29.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -47.62 156.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -147.2 123.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 8.6 mmt180 84.58 -51.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.815 ' HA ' HG12 ' A' ' 46' ' ' VAL . 7.5 t 56.22 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 4.6 mtm180 -125.75 154.79 42.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.667 HG23 HD23 ' A' ' 44' ' ' LEU . 1.5 p -114.94 119.34 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.762 ' CD2' HG13 ' A' ' 88' ' ' VAL . 3.8 p90 -120.66 148.04 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.16 -164.23 20.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -72.51 -36.8 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 36' ' ' ALA . 24.4 t -58.53 -36.01 57.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.3 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.8 -16.79 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.37 32.54 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 3.3 mm-40 -127.64 133.11 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 173.42 106.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -54.91 177.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.8 -1.0 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.09 21.87 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 8.6 t -97.64 156.25 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 172.74 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD23 HG22 ' A' ' 72' ' ' VAL . 19.1 tp -115.14 111.17 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.67 125.68 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.667 HD23 HG23 ' A' ' 27' ' ' VAL . 65.3 mt -132.12 126.22 33.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -100.39 112.14 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.815 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -132.12 153.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -128.5 120.54 26.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HE2' HD12 ' A' ' 60' ' ' LEU . 34.0 m-85 -90.15 127.88 36.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -100.01 -162.1 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 5.5 tt0 49.7 -150.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.76 84.54 0.36 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -110.01 156.43 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -113.06 168.93 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.71 -30.04 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -44.05 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -69.76 -38.05 76.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 21.0 m170 -63.47 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.74 82.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.757 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.0 mtt180 -69.53 -34.1 73.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.53 -49.55 76.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.8 -43.99 86.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -61.64 -36.68 81.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.31 -36.42 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.785 ' CD2' HG13 ' A' ' 13' ' ' VAL . 1.4 mt -71.13 -44.06 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.3 mt-10 -65.18 -28.65 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.93 -48.86 19.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.23 -45.84 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -82.31 -15.0 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.97 20.48 1.92 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.0 m -136.38 157.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.86 128.37 20.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.749 HG22 HD23 ' A' ' 42' ' ' LEU . 91.1 t -133.82 139.54 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -120.53 109.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.763 HG23 ' CG2' ' A' ' 46' ' ' VAL . 88.7 mt -93.49 144.97 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 80' ' ' LEU . 2.3 t -125.89 143.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLY . 4.4 p -107.63 120.83 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.513 ' CG ' HD21 ' A' ' 45' ' ' LEU . 29.2 mt-10 -42.73 -35.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -42.36 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -74.85 -37.23 45.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.921 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.68 140.23 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -73.69 170.53 13.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -25.26 53.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.997 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -82.79 -35.82 26.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.502 ' HG2' HD11 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -53.29 -49.99 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.89 -41.26 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.75 -36.98 70.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 84' ' ' LEU . 45.0 t -64.9 -49.32 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 6.7 mt -58.17 -41.24 83.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -53.63 -26.89 24.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.58 -37.02 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 26' ' ' ARG . . . -57.25 135.45 56.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.2 pt -126.75 132.61 24.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.78 9.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.588 ' SD ' HG21 ' A' ' 70' ' ' VAL . 2.2 ttm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.524 0.202 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.571 ' O ' HD22 ' A' ' 6' ' ' LEU . 1.3 m-20 -108.2 161.18 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.674 HD11 ' CA ' ' A' ' 34' ' ' GLY . 1.6 mm? -55.22 -46.21 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 -43.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' NH1' ' A' ' 9' ' ' ARG . 22.2 m -68.5 -32.4 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.624 HD13 ' HD3' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -55.53 -49.03 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.32 -54.87 41.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -75.77 -30.29 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.837 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.99 -33.07 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -47.68 60.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.08 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.848 HG21 HD11 ' A' ' 68' ' ' LEU . 73.3 t -58.52 -43.93 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -57.92 -43.08 86.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.77 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.75 -40.64 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.954 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.2 m -58.39 -41.38 84.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.62 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -33.48 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 m80 -80.27 -11.79 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.35 26.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -70.57 104.34 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.71 -41.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -83.71 62.29 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG11 ' HG ' ' A' ' 14' ' ' LEU . 38.4 t -82.25 112.35 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB3' ' CA ' ' A' ' 94' ' ' PRO . 6.1 ptm180 -151.5 155.5 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.977 HG12 HG23 ' A' ' 31' ' ' VAL . 1.2 t -105.21 122.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.649 ' CG ' HG13 ' A' ' 88' ' ' VAL . 13.0 p90 -121.84 140.4 52.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.34 -151.5 17.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.411 ' OG ' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -72.65 -31.15 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 HG12 ' A' ' 27' ' ' VAL . 26.4 m -58.83 -45.48 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 27' ' ' VAL . . . -55.5 -33.61 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -82.78 -17.26 44.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.674 ' CA ' HD11 ' A' ' 3' ' ' LEU . . . 101.23 29.85 6.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' OG ' ' A' ' 30' ' ' SER . 5.8 tp10 -123.8 127.68 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.655 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -175.42 86.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 168.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.72 -9.04 40.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.53 -2.13 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.11 175.29 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.51 178.07 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.984 HD11 HD13 ' A' ' 44' ' ' LEU . 2.5 tm? -101.85 116.64 33.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.3 m-20 -94.88 116.37 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.984 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -130.84 125.57 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.649 HD22 HG11 ' A' ' 88' ' ' VAL . 2.6 tp -99.65 113.05 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.649 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -123.86 158.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.46 121.23 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 57.1 m-85 -92.66 120.54 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLU . 12.5 pt-20 -81.12 -167.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . 5.2 tt0 38.01 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.33 75.12 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.16 148.91 30.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.456 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 75.5 p -96.95 165.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -65.89 -28.81 69.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -44.29 82.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.3 -37.07 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 13.7 m170 -61.13 -50.54 72.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.565 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -65.5 -36.21 83.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -63.57 -40.2 96.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.851 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.89 -44.82 91.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 3.1 tptm -57.26 -52.2 66.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 58' ' ' ALA . 6.4 mp -60.55 -29.21 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.904 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.14 -41.93 69.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.731 HD22 HG13 ' A' ' 13' ' ' VAL . 2.6 mt -68.77 -42.35 77.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -58.6 -36.12 73.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.3 -49.73 14.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -45.4 85.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.848 HD11 HG21 ' A' ' 13' ' ' VAL . 5.8 mp -81.6 -13.86 57.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.11 20.94 2.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.0 m -147.58 148.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -36.84 133.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 70' ' ' VAL . 54.8 t -133.38 138.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -121.56 111.33 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.649 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.5 mt -102.6 142.75 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.4 t -131.62 145.74 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 p -106.94 122.86 47.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.512 ' CG ' HD11 ' A' ' 45' ' ' LEU . 53.8 mt-10 -42.35 -43.15 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -55.31 -49.78 71.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.77 -28.05 73.4 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.561 1.163 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.638 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.2 mt -59.89 -178.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -105.37 165.1 13.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -25.41 45.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 33.7 mt -83.84 -43.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 43.3 ttt180 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.87 -42.89 76.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -37.82 70.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 84' ' ' LEU . 56.1 t -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 9.6 mt -55.82 -38.12 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -23.39 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 93' ' ' ILE . 6.3 mm-40 -112.56 -43.29 3.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -44.72 128.59 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.5 pp -126.48 114.18 23.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.481 ' CA ' ' HB3' ' A' ' 26' ' ' ARG . 18.4 Cg_endo -74.96 116.01 4.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 HD13 ' A' ' 14' ' ' LEU . 2.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.826 ' HE1' HD21 ' A' ' 6' ' ' LEU . 4.8 mtp . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.55 0.214 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 6' ' ' LEU . 4.1 m-20 -146.88 154.51 41.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.6 -46.86 86.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -44.66 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -33.9 72.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.826 HD21 ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.658 ' NH1' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.03 -35.45 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.721 ' O ' HD23 ' A' ' 14' ' ' LEU . 10.3 mtt-85 -62.26 -33.49 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.1 -47.99 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.49 -35.52 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 9' ' ' ARG . 37.7 t -67.28 -36.31 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -57.4 -43.7 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.95 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.86 -40.74 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.95 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -56.62 -39.5 73.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.52 76.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -67.61 -38.06 83.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 53.1 m-70 -71.56 -28.95 64.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 130.84 -15.28 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -60.98 114.27 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 49' ' ' GLU . 31.2 m -101.91 -43.55 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -98.24 80.4 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG11 HD22 ' A' ' 14' ' ' LEU . 2.7 t -88.56 104.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -137.65 155.42 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.439 HG22 ' CA ' ' A' ' 32' ' ' ALA . 2.5 p -107.82 125.5 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 9.9 p90 -123.66 140.79 52.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.66 -151.13 18.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -37.71 67.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.735 HG11 HD23 ' A' ' 42' ' ' LEU . 77.8 t -58.55 -33.96 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' CA ' HG22 ' A' ' 27' ' ' VAL . . . -58.78 -30.33 67.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -13.28 28.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.61 28.05 6.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.96 133.87 55.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.46 95.31 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -40.59 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.32 -2.57 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.99 17.81 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 37' ' ' ARG . 1.1 m -103.55 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.97 159.23 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.026 HD12 HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -80.32 116.96 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.48 ' N ' HD22 ' A' ' 42' ' ' LEU . 77.0 m-20 -99.59 120.57 39.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 42' ' ' LEU . 1.1 tp -135.58 125.4 25.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -99.07 111.79 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.618 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -123.0 157.57 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -128.58 121.05 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.75 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 31.8 m-85 -91.82 138.81 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 35.7 mt-10 -54.39 -162.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.83 1.52 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.54 42.01 1.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -129.93 138.96 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -89.44 149.97 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -57.49 -29.28 64.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -42.39 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.64 -36.92 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 15.1 m170 -58.66 -51.86 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.0 85.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 62' ' ' LEU . 24.5 mtt-85 -66.38 -34.01 77.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.588 HD12 ' HE2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -57.65 -39.78 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -65.29 -48.65 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -66.43 -31.3 71.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -69.82 -39.63 76.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.67 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -71.99 -34.57 69.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.9 mt-10 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.45 -51.17 13.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.556 HD13 ' CG2' ' A' ' 13' ' ' VAL . 5.9 mt -64.19 -43.81 93.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.658 HD11 ' NH1' ' A' ' 9' ' ' ARG . 6.8 mt -82.06 -14.6 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.59 21.78 0.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 72' ' ' VAL . 23.4 m -141.29 157.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -45.59 123.72 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.026 HG13 HD12 ' A' ' 42' ' ' LEU . 54.8 t -134.16 138.92 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.74 131.61 54.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.67 HD11 ' HG ' ' A' ' 64' ' ' LEU . 72.0 mt -118.02 145.17 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 38.9 t -125.31 145.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -104.63 127.95 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.658 ' CG ' HD11 ' A' ' 45' ' ' LEU . 16.0 mt-10 -48.92 -37.29 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -50.79 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.3 65.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 mt -66.19 -175.52 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -111.22 166.74 10.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.03 -44.43 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -78.24 -26.02 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.9 mt -83.51 -45.79 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HG2' HD11 ' A' ' 89' ' ' LEU . 20.5 ttt-85 -52.92 -50.81 63.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.14 -41.11 71.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -36.78 69.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 84' ' ' LEU . 60.5 t -65.0 -50.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.537 HD11 ' HG2' ' A' ' 85' ' ' ARG . 6.3 mt -56.8 -25.92 56.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -71.07 -23.18 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.818 ' O ' HG23 ' A' ' 93' ' ' ILE . 11.0 mm-40 -107.48 -44.8 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.04 135.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 91' ' ' GLU . 9.8 pt -135.28 147.87 63.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.89 23.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.879 ' C ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.591 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -121.75 152.9 38.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.81 -47.15 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.13 -45.28 71.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 1.2 m -71.79 -31.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -52.54 -40.25 62.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.94 70.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.28 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HD2' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.33 -36.69 71.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.41 -37.22 72.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.38 -46.89 87.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.77 70.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.844 HG13 HD22 ' A' ' 64' ' ' LEU . 24.4 t -66.93 -37.15 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.999 ' HG ' HD12 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -59.12 -43.41 91.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -33.16 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.898 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -75.29 -38.89 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.898 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.17 -42.46 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.3 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.28 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -73.0 -26.51 61.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.854 ' HB3' HD22 ' A' ' 60' ' ' LEU . 6.3 m-70 -81.97 5.12 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.97 -25.18 24.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.758 ' HB3' ' C ' ' A' ' 17' ' ' CYS . . . -43.67 158.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -147.03 -49.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.701 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 2.8 mmt85 -110.48 65.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.983 ' HA ' HG12 ' A' ' 46' ' ' VAL . 24.1 t -70.75 125.91 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 mtt180 -151.97 155.32 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG23 HD23 ' A' ' 44' ' ' LEU . 5.3 p -116.86 119.56 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.707 ' CD2' HG13 ' A' ' 88' ' ' VAL . 15.4 p90 -122.9 148.01 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -157.91 16.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 36' ' ' ALA . 44.2 t -58.77 -38.26 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -58.7 -29.99 67.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -89.63 -13.77 36.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.14 37.9 3.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -129.35 125.81 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.814 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -174.97 -165.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 174.68 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -18.15 41.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -110.29 62.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.05 -174.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.73 163.64 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' HG21 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -113.84 118.97 35.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 3.0 m-20 -79.93 112.94 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD23 HG23 ' A' ' 27' ' ' VAL . 15.5 mt -118.87 124.85 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 77' ' ' GLU . 22.3 tp -96.18 116.36 28.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.983 HG12 ' HA ' ' A' ' 25' ' ' VAL . 9.3 m -133.76 159.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -128.12 121.34 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 71.1 m-85 -92.25 128.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.13 -164.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -92.72 127.43 38.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -23.31 9.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -77.02 148.12 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.1 p -129.74 172.71 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -31.21 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -55.21 -44.06 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -68.81 -36.64 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 13.3 m170 -58.59 -45.67 88.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.64 84.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -69.67 -35.04 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.854 HD22 ' HB3' ' A' ' 20' ' ' HIS . 5.1 tp -70.25 -48.07 58.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.87 -49.06 77.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.61 -33.71 76.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.554 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -68.35 -35.88 78.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.844 HD22 HG13 ' A' ' 13' ' ' VAL . 2.8 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 39.1 mt-10 -67.79 -30.09 69.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.51 -51.22 17.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.558 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.64 -46.34 79.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.6 mp -82.61 -1.85 52.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 37.35 30.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 68' ' ' LEU . 24.3 m -157.13 158.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -45.47 138.16 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 70' ' ' VAL . 53.7 t -133.2 135.7 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.73 112.74 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.523 HG23 HG21 ' A' ' 46' ' ' VAL . 87.0 mt -101.73 144.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.463 HG11 HD21 ' A' ' 80' ' ' LEU . 1.3 t -130.12 142.44 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 90.8 p -111.33 126.14 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.697 ' HG2' HD11 ' A' ' 45' ' ' LEU . 2.5 mt-10 -40.59 -51.32 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -38.27 6.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -75.82 -38.29 36.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.739 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -61.42 138.41 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.727 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -68.14 167.05 19.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.02 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -76.61 -26.44 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.983 ' O ' HG23 ' A' ' 88' ' ' VAL . 17.5 mt -81.86 -34.11 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 23.3 ttm180 -54.37 -50.54 67.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.71 -42.67 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.31 -36.51 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 84' ' ' LEU . 65.3 t -65.62 -49.72 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.687 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 17.4 mt -56.36 -37.42 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -53.55 -23.8 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.8 mm-40 -113.87 -29.89 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -54.56 121.07 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.645 HG23 ' O ' ' A' ' 91' ' ' GLU . 38.6 pt -125.19 147.44 57.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 116.77 4.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.999 HD12 ' HG ' ' A' ' 14' ' ' LEU . 2.4 tm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.808 ' HE3' HD22 ' A' ' 68' ' ' LEU . 10.6 ptm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.438 0.161 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 171.62 -179.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.8 mm? -61.2 -45.3 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.63 -46.11 77.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.79 -34.02 71.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.55 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.28 -44.94 84.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -64.54 -33.87 76.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -51.24 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.682 ' CZ ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.1 -32.7 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.85 ' NH2' HG22 ' A' ' 27' ' ' VAL . 11.4 mmt180 -58.58 -33.14 69.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.27 -48.37 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.39 64.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.895 HG23 HD22 ' A' ' 67' ' ' LEU . 12.0 t -67.85 -35.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.798 HD11 HG11 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -59.22 -44.94 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -33.79 70.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.8 -39.02 57.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.899 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -55.66 -43.85 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.89 72.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -19.87 63.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.967 ' HB2' HD22 ' A' ' 60' ' ' LEU . 68.7 m80 -102.84 1.15 33.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 101.6 -24.61 30.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -50.07 129.96 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -133.36 -50.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 22.3 mmt180 -77.23 63.53 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.798 HG11 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -67.75 112.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.721 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -151.66 153.32 34.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.85 HG22 ' NH2' ' A' ' 10' ' ' ARG . 1.5 t -107.86 122.32 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.2 p90 -123.11 135.44 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.13 -159.82 14.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -30.51 64.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.723 HG11 ' HA ' ' A' ' 42' ' ' LEU . 30.1 m -57.82 -48.93 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -53.21 -35.71 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 9.5 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.62 50.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 12.3 mt-10 -130.43 126.51 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 171.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.41 -2.56 49.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -122.47 27.57 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -120.83 166.48 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.53 179.81 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.723 ' HA ' HG11 ' A' ' 31' ' ' VAL . 68.7 tp -115.73 110.01 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.87 119.04 27.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.785 ' CD2' HG13 ' A' ' 27' ' ' VAL . 91.9 mt -125.69 129.44 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.952 HD23 ' HB2' ' A' ' 92' ' ' ALA . 18.3 tp -102.0 113.61 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -136.32 150.52 27.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -129.51 123.76 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.841 ' HE2' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.48 144.18 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 5.7 pt-20 -84.92 -151.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 51' ' ' GLY . 4.4 tt0 -85.08 158.99 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 50' ' ' GLU . . . 94.51 -32.15 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.484 ' HG2' ' CB ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -76.08 157.63 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 p -135.3 175.0 9.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -34.74 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.01 -42.99 73.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.25 -36.42 81.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 9.7 m-70 -59.05 -52.45 65.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.74 -39.89 80.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.6 mmt85 -62.88 -43.54 98.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.967 HD22 ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -58.34 -37.92 76.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 74' ' ' ILE . 2.4 tptm -66.1 -51.99 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.812 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.56 -47.54 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.879 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -60.29 -40.76 91.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 69' ' ' GLY . 63.7 mt-10 -72.57 -27.36 62.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.57 35.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.895 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.28 -46.39 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.76 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.881 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.2 mt -87.31 -8.19 56.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.37 20.77 2.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 68' ' ' LEU . 12.2 m -130.42 178.62 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -76.35 128.47 34.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.4 t -133.82 145.0 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -115.17 113.99 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.879 HD11 ' HG ' ' A' ' 64' ' ' LEU . 20.8 mt -103.13 145.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -131.64 145.75 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 p -107.87 120.89 43.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' CG ' HD11 ' A' ' 45' ' ' LEU . 22.5 mt-10 -42.32 -37.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -54.63 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.14 91.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.046 HD12 HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -56.39 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.858 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -45.15 161.74 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 -43.08 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -75.73 -27.23 58.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 88' ' ' VAL . 18.9 mt -82.84 -33.08 27.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 47.2 ttp180 -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.72 -41.96 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.56 -36.35 68.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.046 HG21 HD12 ' A' ' 80' ' ' LEU . 47.0 t -69.97 -45.87 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.502 HD23 HD21 ' A' ' 45' ' ' LEU . 93.6 mt -56.18 -49.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -22.88 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 93' ' ' ILE . 1.7 mm-40 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.952 ' HB2' HD23 ' A' ' 45' ' ' LEU . . . -48.06 144.82 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.598 HG23 ' O ' ' A' ' 91' ' ' GLU . 34.6 pt -138.16 132.29 16.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.4 Cg_endo -74.99 128.89 11.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.784 HD13 ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.516 ' CE ' HD22 ' A' ' 68' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.495 0.188 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -154.88 159.26 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 4.2 mm? -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -64.63 -38.39 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -41.96 92.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 mt -57.02 -43.27 81.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -63.07 -40.47 97.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -51.38 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 1.016 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.45 -29.35 67.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.683 HH22 HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -56.47 -42.75 78.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -48.39 81.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.99 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.016 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 31.4 t -65.04 -42.57 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -57.63 -43.54 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -38.72 91.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.936 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.62 -38.94 53.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.936 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.1 m -57.63 -42.28 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -27.03 60.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.758 ' CB ' HD22 ' A' ' 60' ' ' LEU . 71.0 m80 -97.42 6.01 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.674 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 80.59 74.6 1.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.809 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -156.76 89.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 m -89.87 -34.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.28 54.25 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.693 ' HA ' HG12 ' A' ' 46' ' ' VAL . 22.0 t -71.11 74.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.53 155.12 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.683 HG11 HH22 ' A' ' 10' ' ' ARG . 1.5 p -107.23 117.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.6 p90 -122.97 147.83 46.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 111.5 -170.88 13.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -35.65 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.853 HG11 HD22 ' A' ' 42' ' ' LEU . 9.2 m -59.02 -35.09 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -60.07 -36.33 77.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.25 9.2 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.65 12.08 84.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.37 125.51 35.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.39 148.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -125.85 -175.58 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.81 -1.31 30.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.38 42.97 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p -126.36 176.54 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.26 174.48 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.853 HD22 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -114.91 121.04 41.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' H ' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.07 114.05 28.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.794 ' HG ' HD12 ' A' ' 42' ' ' LEU . 15.1 mt -131.37 127.65 38.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 HD12 ' A' ' 80' ' ' LEU . 18.9 tp -97.89 121.85 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -130.63 158.88 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.5 124.32 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.824 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 31.2 m-85 -92.87 117.3 29.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.8 pt-20 -93.96 -157.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 6.0 tt0 38.87 -147.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.53 90.43 0.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.816 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.6 160.12 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.1 p -129.49 173.95 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -60.74 -28.04 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -45.09 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -37.78 72.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.824 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -60.43 -50.22 74.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.645 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.44 82.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.666 ' HA ' HD23 ' A' ' 62' ' ' LEU . 3.0 mmt180 -68.54 -37.78 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.758 HD22 ' CB ' ' A' ' 20' ' ' HIS . 3.2 tp -58.27 -50.19 74.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.49 -44.51 89.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -65.83 -31.98 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -73.84 -43.1 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 74' ' ' ILE . 1.1 mt -65.08 -40.0 94.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.4 mt-10 -68.96 -26.86 65.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -45.06 45.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -63.6 -46.38 86.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.995 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.1 mt -90.33 1.87 56.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 38.72 29.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.995 HG13 ' O ' ' A' ' 68' ' ' LEU . 22.2 m -132.84 -171.5 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -90.18 128.73 36.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.91 143.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -118.75 111.44 18.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.616 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 6.2 mt -96.14 143.83 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -127.45 146.41 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' GLY . 3.8 p -107.17 123.04 47.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.51 ' HG3' HD11 ' A' ' 45' ' ' LEU . 13.6 mt-10 -41.43 -51.97 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.21 65.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.64 -28.51 65.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.662 HD12 HD13 ' A' ' 45' ' ' LEU . 3.1 mt -62.81 -176.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -108.59 166.45 10.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.0 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -78.61 -25.7 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.994 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -82.94 -48.13 11.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -52.64 -51.22 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 89' ' ' LEU . 3.1 mt-10 -54.32 -43.1 70.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.69 -36.91 67.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 84' ' ' LEU . 96.3 t -59.93 -39.4 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 86' ' ' GLU . 34.6 mt -56.03 -45.32 79.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -53.92 -23.99 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 93' ' ' ILE . 23.6 mm-40 -100.95 -49.05 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.15 137.42 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 91' ' ' GLU . 37.7 pt -134.26 131.35 20.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.874 ' CE ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.488 0.185 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.706 ' O ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-20 -138.26 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 4.5 mm? -70.25 -46.47 64.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.37 -46.02 78.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.573 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.4 m -61.45 -32.49 72.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.874 HD11 ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.22 -47.78 82.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.2 mmt85 -56.17 -31.93 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.63 -55.08 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.844 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -77.81 -31.03 51.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.794 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.93 -30.14 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.82 -48.18 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.18 65.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.2 t -65.36 -40.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.92 -43.01 85.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -37.1 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.05 -36.57 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.873 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -56.3 -42.57 77.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.29 -33.17 71.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -65.33 -19.44 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 39.0 m80 -93.55 -31.98 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.67 -14.67 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 107.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.09 -43.38 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -86.56 81.23 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.68 HG11 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -91.18 113.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.676 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -151.53 152.33 32.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 32' ' ' ALA . 21.0 t -103.98 122.07 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CG ' HG13 ' A' ' 88' ' ' VAL . 2.8 p90 -124.91 133.41 53.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.32 -157.77 16.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -29.74 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.893 HG11 HD13 ' A' ' 42' ' ' LEU . 29.0 t -57.42 -48.61 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.776 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -61.0 -31.77 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -80.87 -14.57 57.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.99 43.3 2.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.8 mm-40 -137.39 127.4 25.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 175.45 125.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -175.08 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.3 -0.73 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -113.97 10.12 17.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -122.94 168.61 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.35 175.93 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.893 HD13 HG11 ' A' ' 31' ' ' VAL . 12.3 tp -110.37 111.91 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 16.4 m-20 -86.38 115.18 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.737 HD11 HD21 ' A' ' 42' ' ' LEU . 85.1 mt -133.55 126.85 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -103.74 113.55 27.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.624 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.71 158.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -125.15 122.09 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 92.1 m-85 -92.55 122.03 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.21 -168.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 42.15 -154.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.75 65.53 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -78.4 137.85 38.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -104.43 170.96 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -42.75 74.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -70.15 -37.0 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 15.0 m170 -60.37 -48.95 79.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.43 75.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -63.02 -39.04 93.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.818 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -74.29 -41.45 61.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.88 -39.77 94.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -73.05 -34.63 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.96 -36.06 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.693 HD22 HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -70.0 -37.33 75.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 10.8 mt-10 -66.17 -32.53 74.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.47 -49.5 19.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.752 HD23 HG22 ' A' ' 13' ' ' VAL . 3.3 mp -64.54 -44.79 89.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.732 HD11 HH21 ' A' ' 10' ' ' ARG . 6.0 mt -82.02 -14.21 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.78 20.22 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 72' ' ' VAL . 20.7 m -142.96 161.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -51.79 132.69 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 70' ' ' VAL . 78.8 t -133.6 136.4 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -112.39 114.09 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.595 HG23 ' CG2' ' A' ' 46' ' ' VAL . 4.3 mt -106.43 143.32 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 42.9 t -131.17 145.05 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -108.22 121.8 45.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CG ' HD21 ' A' ' 45' ' ' LEU . 20.1 mt-10 -40.42 -29.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' SER . 7.0 ttt180 -68.6 -54.77 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.69 -18.37 63.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.48 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -67.39 -175.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -118.48 172.16 4.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.98 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -25.0 45.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.011 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.3 mp -82.99 -48.22 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG2' HD11 ' A' ' 89' ' ' LEU . 13.4 ttp180 -52.7 -50.5 63.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.35 -42.86 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.4 -37.33 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 84' ' ' LEU . 59.0 t -63.06 -49.09 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -56.14 -37.45 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -22.96 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 93' ' ' ILE . 8.8 mm-40 -109.38 -42.05 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.676 ' HB1' ' HB3' ' A' ' 26' ' ' ARG . . . -39.06 115.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.905 HG23 ' O ' ' A' ' 91' ' ' GLU . 3.1 pt -117.95 129.33 25.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.792 HD13 ' HG2' ' A' ' 10' ' ' ARG . 1.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.732 ' HE1' HD11 ' A' ' 6' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.478 0.18 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.628 ' O ' HD22 ' A' ' 6' ' ' LEU . 30.4 t0 -118.51 169.49 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.806 HD11 ' HA2' ' A' ' 34' ' ' GLY . 2.0 mm? -63.57 -46.53 85.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -36.8 63.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.474 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 m -79.01 -31.95 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.732 HD11 ' HE1' ' A' ' 1' ' ' MET . 0.3 OUTLIER -56.25 -55.06 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 1.3 ptm180 -68.86 -29.33 67.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 5' ' ' THR . . . -68.21 -49.01 63.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.825 ' HE ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.42 -31.99 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.694 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.35 -31.23 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.08 -48.34 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -73.84 -36.2 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.013 HG23 HD22 ' A' ' 67' ' ' LEU . 3.3 t -67.89 -34.71 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -61.87 -40.96 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -44.82 96.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.3 pp -75.19 -30.01 60.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.572 ' SG ' HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -71.11 -33.03 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.62 -40.93 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 63.0 m80 -75.25 -33.32 61.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.18 54.13 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -124.43 133.15 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.765 ' CG2' ' HB3' ' A' ' 47' ' ' ALA . 5.6 m -120.45 -158.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 5.8 mmt85 37.37 31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.623 HG21 ' CD1' ' A' ' 14' ' ' LEU . 3.4 m -49.14 103.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 1.5 mtt-85 -152.46 155.55 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.12 122.93 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' CG ' HG22 ' A' ' 88' ' ' VAL . 4.6 p90 -123.0 147.88 46.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 110.83 -169.8 13.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -37.44 80.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 36' ' ' ALA . 4.4 m -59.25 -34.16 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -58.76 -42.42 88.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -1.44 37.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.806 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 85.48 37.68 9.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.6 mm-40 -119.93 125.68 49.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . 173.73 122.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.39 -174.98 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.26 -2.35 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -130.61 23.13 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.42 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 2.4 t -98.56 155.61 17.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -95.24 165.97 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.064 HD12 HG13 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -114.09 131.41 56.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' HD22 ' A' ' 42' ' ' LEU . 13.8 m-20 -108.68 118.95 38.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.813 HD13 HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -130.45 125.9 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD11 ' HG3' ' A' ' 77' ' ' GLU . 1.2 tp -100.15 114.88 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.612 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.56 130.94 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.765 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -95.67 123.14 39.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.646 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 54.1 m-85 -92.27 117.72 30.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.18 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -82.04 144.64 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.09 -24.31 30.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 52' ' ' ARG . 15.0 mmt180 -76.76 141.22 40.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.7 p -129.27 173.29 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -54.97 -32.27 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -43.12 72.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.85 -36.83 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.646 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -59.31 -52.07 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.41 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HA ' HD23 ' A' ' 62' ' ' LEU . 11.5 mmt85 -63.56 -36.74 84.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -75.9 -46.02 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.94 -40.97 81.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.518 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -73.8 -37.11 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.92 79.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD21 HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -70.84 -37.09 73.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 72' ' ' VAL . 45.1 mt-10 -69.52 -27.09 64.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.89 -44.28 47.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.013 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.7 -45.31 90.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.825 HD11 ' HE ' ' A' ' 9' ' ' ARG . 4.2 mt -83.22 -14.59 52.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 53.88 17.6 7.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.616 HG21 ' SD ' ' A' ' 1' ' ' MET . 16.3 m -135.99 176.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.79 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.04 133.14 50.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.064 HG13 HD12 ' A' ' 42' ' ' LEU . 38.5 t -133.68 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 110.88 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.612 HG23 ' CG2' ' A' ' 46' ' ' VAL . 42.3 mt -99.84 142.19 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 18.5 t -126.59 145.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 2.3 p -106.34 122.04 45.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.584 ' HG3' HD11 ' A' ' 45' ' ' LEU . 9.4 mt-10 -43.98 -34.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -68.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.71 -22.1 8.01 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 45' ' ' LEU . 3.4 mt -60.54 -175.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -111.16 168.55 7.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 -45.16 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -79.02 -24.65 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -83.64 -43.29 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.509 ' O ' HG12 ' A' ' 88' ' ' VAL . 57.5 ttt180 -54.99 -50.04 69.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -63.37 -37.64 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -72.57 -40.25 66.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.54 HG22 ' CG ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.39 -48.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 2.4 mt -53.44 -51.4 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -52.6 -23.97 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.4 mm-40 -96.7 -31.68 12.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -58.37 132.29 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pt -119.37 147.55 43.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.01 138.5 23.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.774 ' C ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.42 ' CE ' ' HE ' ' A' ' 9' ' ' ARG . 84.9 mmm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.517 0.199 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.893 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 m-20 -165.76 156.9 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 4.2 mm? -62.04 -45.73 92.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -67.01 -39.52 87.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -55.83 -36.13 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -73.39 -39.05 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -51.6 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.696 ' NH1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.31 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.993 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.88 -39.98 93.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.28 -48.14 82.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.554 HG21 HD11 ' A' ' 68' ' ' LEU . 3.8 t -63.92 -35.17 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.91 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -63.61 -44.1 94.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -35.66 72.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.064 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -75.52 -43.93 46.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.012 ' N ' HD23 ' A' ' 16' ' ' LEU . 3.7 m -58.72 -41.56 86.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.0 74.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.36 63.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.57 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 30.5 m-70 -92.33 -6.14 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.89 -22.19 21.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -46.07 118.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 47' ' ' ALA . 1.3 m -113.51 -37.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.65 52.8 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.751 HG11 HD13 ' A' ' 14' ' ' LEU . 14.2 p -67.94 107.15 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -152.36 156.4 39.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.598 ' C ' ' HB2' ' A' ' 32' ' ' ALA . 2.4 t -102.12 118.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 2.6 p90 -122.86 134.3 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.91 -157.75 14.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -31.62 65.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' A' ' 42' ' ' LEU . 30.6 m -58.74 -48.39 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.598 ' HB2' ' C ' ' A' ' 27' ' ' VAL . . . -53.61 -33.09 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 9.49 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.76 42.67 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.97 129.99 24.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.654 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -160.31 94.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.99 158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.94 -4.11 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.315 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.5 6.23 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -106.28 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . 6.0 m-20 -109.87 -174.21 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.72 ' HA ' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -112.05 123.4 50.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -97.84 131.07 44.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.701 HD11 HD21 ' A' ' 42' ' ' LEU . 85.6 mt -135.22 126.54 28.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 77' ' ' GLU . 7.2 tp -96.71 113.55 25.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.738 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -136.74 153.75 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.82 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -127.92 121.02 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.867 ' HE2' HD12 ' A' ' 60' ' ' LEU . 22.1 m-85 -91.25 132.84 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 pp20? -100.23 162.99 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -36.81 133.04 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.76 -1.1 12.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -133.04 161.25 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 p -136.24 175.84 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -26.98 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -43.87 95.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.717 ' NE2' ' CD1' ' A' ' 48' ' ' PHE . 6.5 m170 -56.85 -52.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -68.55 -41.55 79.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.99 -43.85 97.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.867 HD12 ' HE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.62 -38.11 74.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.976 ' HG3' HD23 ' A' ' 62' ' ' LEU . 2.5 tptm -59.92 -52.24 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.976 HD23 ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -57.73 -40.77 80.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.064 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -58.93 -35.96 73.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.635 ' HG ' HD11 ' A' ' 74' ' ' ILE . 2.9 mt -72.11 -46.18 57.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 36.2 mt-10 -57.05 -26.87 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 -51.32 8.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.05 -42.91 62.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 70' ' ' VAL . 9.0 mp -79.43 -10.86 59.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' C ' HG13 ' A' ' 70' ' ' VAL . . . 43.5 23.89 0.35 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 68' ' ' LEU . 15.7 m -155.37 154.86 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -40.67 135.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.697 HG13 HD23 ' A' ' 42' ' ' LEU . 3.7 t -133.76 139.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -120.96 110.59 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.848 HD13 HD13 ' A' ' 60' ' ' LEU . 64.3 mt -96.59 144.77 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG11 HD21 ' A' ' 80' ' ' LEU . 2.4 t -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' GLY . 24.3 p -112.36 122.05 46.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.78 ' HG2' HD11 ' A' ' 45' ' ' LEU . 2.3 mt-10 -42.2 -43.23 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.11 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.45 -38.92 51.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.834 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -58.12 144.69 39.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -74.05 166.19 46.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -77.33 -25.35 51.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.046 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -82.96 -34.19 26.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.535 ' HE ' HD11 ' A' ' 89' ' ' LEU . 20.3 ttt180 -53.24 -50.24 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 89' ' ' LEU . 24.4 mm-40 -54.62 -41.46 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -72.16 -36.74 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 84' ' ' LEU . 40.7 t -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.535 HD11 ' HE ' ' A' ' 85' ' ' ARG . 16.2 mt -56.43 -44.21 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -53.59 -23.95 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.4 mm-40 -102.99 -38.15 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -53.0 123.73 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -121.98 125.83 26.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.993 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.542 ' CE ' HD11 ' A' ' 6' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.481 0.181 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.588 ' O ' HD13 ' A' ' 6' ' ' LEU . 2.4 m-20 -123.06 166.29 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -65.11 -47.69 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.7 -44.33 90.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.55 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -69.87 -32.86 71.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.438 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -58.28 -42.35 86.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HA ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.01 -28.65 62.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.5 -56.17 25.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.686 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -78.28 -31.73 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.686 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.55 -34.1 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 -45.11 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.997 HG13 HD22 ' A' ' 64' ' ' LEU . 73.0 t -55.68 -45.28 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 95' ' ' LEU . 6.9 mt -58.2 -43.85 87.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -36.76 85.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.96 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.814 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -54.45 -41.75 69.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.323 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -20.02 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.777 ' CB ' HD22 ' A' ' 60' ' ' LEU . 65.4 m80 -93.63 -8.96 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.651 ' O ' HG13 ' A' ' 23' ' ' VAL . . . 112.64 -19.43 21.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -56.1 111.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 47' ' ' ALA . 18.0 m -103.5 -53.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.59 72.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.713 ' HB ' HD22 ' A' ' 14' ' ' LEU . 19.7 m -73.66 99.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.57 155.93 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 44' ' ' LEU . 2.0 t -108.3 123.78 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.0 p90 -125.11 135.12 52.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.87 -156.88 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -30.31 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.861 HG11 ' CD2' ' A' ' 42' ' ' LEU . 74.2 t -57.03 -49.2 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.002 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -57.49 -32.93 67.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -10.29 59.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.04 9.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.3 mm-40 -124.66 125.87 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 170.08 93.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -175.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.9 1.72 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.39 -1.99 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.7 t -90.38 170.83 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.17 173.2 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.861 ' CD2' HG11 ' A' ' 31' ' ' VAL . 1.8 tm? -115.16 115.47 26.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 m-20 -98.24 117.26 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.699 HD12 HG13 ' A' ' 27' ' ' VAL . 1.1 tp -129.51 125.76 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -100.43 111.78 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' HD22 ' A' ' 45' ' ' LEU . 1.1 m -129.99 159.52 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.772 ' HB3' HG22 ' A' ' 23' ' ' VAL . . . -117.99 125.45 50.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.637 ' CD2' ' NE2' ' A' ' 57' ' ' HIS . 38.6 m-85 -92.29 117.76 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.582 ' CD ' HG11 ' A' ' 23' ' ' VAL . 6.2 mm-40 -44.76 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.03 111.36 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.83 -11.65 5.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.88 136.95 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -105.8 164.39 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -57.68 -27.76 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -42.86 79.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 m-20 -70.27 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.666 ' HB2' HD13 ' A' ' 54' ' ' LEU . 11.9 m170 -59.23 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.34 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HA ' HD23 ' A' ' 62' ' ' LEU . 6.9 mmt180 -66.22 -38.55 88.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.777 HD22 ' CB ' ' A' ' 20' ' ' HIS . 8.6 tp -61.87 -51.45 68.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.51 -48.06 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.18 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -73.52 -41.72 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.997 HD22 HG13 ' A' ' 13' ' ' VAL . 4.1 mt -70.92 -35.39 72.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' GLY . 46.3 mt-10 -66.26 -26.26 67.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.32 -51.02 18.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -65.92 -42.35 90.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.727 HD13 HG21 ' A' ' 72' ' ' VAL . 1.6 mt -81.42 -15.46 55.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.82 21.69 2.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 72' ' ' VAL . 21.2 m -145.06 150.87 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -39.78 127.81 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 70' ' ' VAL . 39.3 t -133.5 132.51 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -113.44 133.5 55.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.557 HD11 HD12 ' A' ' 64' ' ' LEU . 57.5 mt -120.52 143.01 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 25.4 t -120.44 141.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 85.0 p -106.5 120.7 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' HD21 ' A' ' 45' ' ' LEU . 7.5 mt-10 -40.6 -38.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -62.16 -51.28 68.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 -19.19 67.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 80' ' ' LEU . 4.5 mt -67.85 173.53 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -105.32 168.43 8.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 -45.29 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.85 -25.57 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 44.0 mt -83.41 -44.95 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 46.0 ttt180 -52.26 -50.61 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.38 -40.91 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -72.05 -36.22 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.527 HG13 ' CG ' ' A' ' 28' ' ' PHE . 41.7 t -62.93 -46.09 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.45 -43.07 75.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -54.0 -23.66 14.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.959 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.9 mm-40 -104.24 -39.62 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.47 127.57 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.002 HG12 ' HB1' ' A' ' 32' ' ' ALA . 1.8 pp -134.74 148.17 66.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 140.89 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 0' ' ' HIS . 13.6 m 68.8 154.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' -1' ' ' SER . 2.3 t-80 90.21 7.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.586 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.544 ' SD ' HD21 ' A' ' 6' ' ' LEU . 1.6 ttm -40.01 124.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' HD22 ' A' ' 6' ' ' LEU . 21.1 m-20 -128.75 152.55 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.676 HD21 ' HA2' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -56.17 -46.2 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.63 -37.64 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 m -78.71 -33.38 46.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD21 ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -54.67 -39.84 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -31.92 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -60.61 -52.6 64.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -76.0 -33.73 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.955 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.84 -33.73 67.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -47.7 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.48 -39.85 67.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 9' ' ' ARG . 52.4 t -59.47 -37.45 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.955 HD12 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.24 -42.22 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -43.94 97.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.698 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.3 pp -75.35 -35.49 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.742 ' SG ' HD11 ' A' ' 60' ' ' LEU . 1.4 m -59.08 -40.91 86.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 42.7 m80 -67.71 -36.59 80.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.17 57.01 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -131.31 108.12 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 24' ' ' ARG . 18.0 m -93.18 -53.41 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.544 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -74.38 62.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG11 ' HG ' ' A' ' 14' ' ' LEU . 3.4 t -82.63 93.61 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' CB ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -142.91 156.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 t -101.48 125.26 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.631 ' CG ' HG13 ' A' ' 88' ' ' VAL . 2.8 p90 -125.23 134.51 52.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.96 -158.58 17.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -30.04 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.895 HG11 ' CD1' ' A' ' 42' ' ' LEU . 77.6 t -57.86 -49.37 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.72 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -9.25 59.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.676 ' HA2' HD21 ' A' ' 3' ' ' LEU . . . 91.35 39.71 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.8 mm-40 -134.01 126.39 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 169.76 114.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -175.11 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.96 -1.22 30.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -121.23 12.79 11.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.0 t -101.88 165.92 10.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 167.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.895 ' CD1' HG11 ' A' ' 31' ' ' VAL . 44.0 tp -111.15 110.24 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 70.5 m-20 -90.47 119.23 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.475 HD21 ' NH1' ' A' ' 10' ' ' ARG . 1.1 mp -129.25 125.77 37.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 1.3 tm? -104.8 112.48 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.55 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -123.67 155.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -119.81 120.46 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.704 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 99.1 m-85 -92.61 125.8 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.82 -155.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.49 144.55 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.01 -22.95 35.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -76.83 130.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -118.04 174.06 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.62 -27.81 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -54.2 -43.02 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.81 -36.3 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.704 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -60.41 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -60.22 -41.16 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -63.84 -38.61 91.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.742 HD11 ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -74.89 -42.75 57.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.98 -40.74 96.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.785 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -73.7 -37.42 65.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -67.95 -36.3 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.67 ' CD2' HG13 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -67.48 -46.07 74.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 24.8 mt-10 -64.01 -31.88 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 -50.6 11.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.92 90.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.687 HD21 HH21 ' A' ' 10' ' ' ARG . 7.8 mp -82.55 -13.2 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 51.97 20.05 5.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 72' ' ' VAL . 17.7 m -143.3 153.01 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -46.04 133.23 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 70' ' ' VAL . 72.8 t -133.99 125.75 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -104.79 118.23 36.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.55 HG23 ' CG2' ' A' ' 46' ' ' VAL . 78.8 mt -107.47 144.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 21.8 t -130.31 146.54 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 p -105.39 127.67 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.579 ' OE2' HD21 ' A' ' 89' ' ' LEU . 4.6 mt-10 -47.48 -37.49 11.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -58.88 -73.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.32 -27.93 4.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 45' ' ' LEU . 2.7 mt -55.4 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.891 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -111.32 168.36 7.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.95 -44.34 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -78.38 -24.84 46.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.025 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -83.37 -48.28 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 25.9 ttt180 -52.83 -50.8 62.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 89' ' ' LEU . 42.7 mt-10 -55.09 -42.61 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.26 -36.63 69.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 84' ' ' LEU . 60.3 t -61.93 -44.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 86' ' ' GLU . 6.5 mt -56.25 -47.28 78.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -53.69 -23.54 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.9 mm-40 -99.55 -39.08 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 26' ' ' ARG . . . -47.08 127.84 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.72 HG12 ' HB1' ' A' ' 32' ' ' ALA . 1.2 pp -126.07 123.97 24.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.412 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.5 Cg_endo -74.97 115.12 4.19 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 10' ' ' ARG . 1.7 tt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.6 m -140.88 112.52 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -173.1 98.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.621 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.531 ' CG ' HD21 ' A' ' 6' ' ' LEU . 1.9 ttm -176.37 86.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 6' ' ' LEU . 63.1 m-20 -98.22 154.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.465 HD11 ' HA3' ' A' ' 34' ' ' GLY . 1.8 mm? -54.27 -46.29 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.72 -38.05 80.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 2.4 m -76.22 -30.41 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -54.46 -39.53 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -74.31 -41.83 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.29 66.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -33.83 76.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.95 -48.08 80.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.23 -46.49 88.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -70.44 -36.38 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.719 HG21 HD11 ' A' ' 68' ' ' LEU . 11.4 t -66.45 -34.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -65.13 -41.48 94.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -45.65 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.4 pp -73.6 -37.95 65.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.699 ' N ' HD12 ' A' ' 16' ' ' LEU . 1.9 m -58.99 -37.19 76.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.68 78.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.9 -18.49 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.867 ' HB3' HD22 ' A' ' 60' ' ' LEU . 10.1 m-70 -86.61 5.14 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 80.69 56.21 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -134.32 116.57 15.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.92 -39.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 2.2 mmt85 -84.27 53.41 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 HD13 ' A' ' 14' ' ' LEU . 4.3 m -66.19 105.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.68 155.23 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.47 116.58 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CG ' HG13 ' A' ' 88' ' ' VAL . 9.2 p90 -122.96 147.31 46.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.54 -163.8 12.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -33.65 74.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.82 HG22 ' HB2' ' A' ' 36' ' ' ALA . 16.2 t -59.14 -33.71 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.2 -39.21 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -17.85 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA3' HD11 ' A' ' 3' ' ' LEU . . . 102.8 25.28 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 4.1 tp10 -124.68 130.4 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.82 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -175.68 105.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.58 160.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.35 -0.73 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.38 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 176.6 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.65 170.34 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.977 HD11 HD13 ' A' ' 44' ' ' LEU . 1.2 tp -115.48 119.88 37.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.643 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.4 m-20 -86.41 112.57 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.977 HD13 HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -132.04 125.52 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.672 ' CD1' HD12 ' A' ' 80' ' ' LEU . 13.9 tp -102.21 115.78 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.03 159.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -122.79 120.69 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 85.1 m-85 -91.38 132.72 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.27 -172.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -82.15 147.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.09 -6.23 61.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -94.66 159.23 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.0 p -139.47 172.93 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -33.74 68.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -40.57 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -36.84 72.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.643 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 12.5 m170 -58.75 -51.79 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.83 79.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.859 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.4 mtm-85 -63.75 -38.4 90.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.867 HD22 ' HB3' ' A' ' 20' ' ' HIS . 8.0 tp -74.25 -45.27 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -58.02 -38.27 75.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -70.51 -34.89 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.76 74.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD21 HD11 ' A' ' 60' ' ' LEU . 2.5 mt -71.43 -37.8 71.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 12.2 mt-10 -58.86 -33.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.64 -50.57 11.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.51 -45.8 74.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.6 mp -80.85 -6.86 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 38.64 28.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 68' ' ' LEU . 22.0 m -156.43 156.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -38.75 140.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 64' ' ' LEU . 58.7 t -133.74 131.36 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.67 110.66 16.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.532 HG23 ' CG2' ' A' ' 46' ' ' VAL . 27.8 mt -99.95 144.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.474 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 45.6 t -127.3 145.02 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 79' ' ' GLY . 59.5 p -107.86 121.82 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.4 mt-10 -38.31 -46.82 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -48.98 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -64.73 -35.84 92.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD12 ' CD1' ' A' ' 45' ' ' LEU . 4.3 mt -55.73 178.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -113.67 170.96 4.78 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.03 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -25.26 44.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.895 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.8 mp -83.43 -48.69 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.622 ' HD3' HD11 ' A' ' 89' ' ' LEU . 5.2 ttm180 -53.31 -50.78 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 89' ' ' LEU . 20.8 mt-10 -54.96 -42.94 72.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -72.19 -36.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 84' ' ' LEU . 53.6 t -62.76 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.622 HD11 ' HD3' ' A' ' 85' ' ' ARG . 10.2 mt -55.82 -42.43 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -23.86 22.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 93' ' ' ILE . 14.9 mm-40 -102.15 -47.81 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -43.61 141.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 91' ' ' GLU . 48.2 pt -140.8 126.18 11.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 m -82.43 80.51 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -171.76 137.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.83 ' HE1' HD21 ' A' ' 6' ' ' LEU . 8.8 ptm -162.97 173.84 13.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.8 m-20 -157.33 157.2 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.702 HD11 ' HA2' ' A' ' 34' ' ' GLY . 3.2 mm? -58.56 -45.45 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.19 -37.33 84.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.83 HD21 ' HE1' ' A' ' 1' ' ' MET . 0.8 OUTLIER -57.69 -40.79 80.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.9 mmt180 -64.16 -41.78 97.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.93 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.74 -30.63 68.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.828 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.95 -45.63 78.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.65 -44.83 85.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 67' ' ' LEU . . . -71.92 -36.15 69.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 68' ' ' LEU . 19.5 t -68.8 -34.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.803 HD13 HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.22 -42.07 89.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -46.03 87.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.3 pp -73.32 -36.25 66.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.66 ' N ' HD12 ' A' ' 16' ' ' LEU . 2.1 m -58.04 -40.61 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.52 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -32.86 63.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.735 ' CB ' HD22 ' A' ' 60' ' ' LEU . 46.0 m80 -82.12 5.34 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 84.75 69.43 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -140.82 112.38 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -107.41 -40.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -84.84 50.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.803 HG21 HD13 ' A' ' 14' ' ' LEU . 2.8 p -65.99 105.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -152.41 155.38 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.415 HG13 HG12 ' A' ' 93' ' ' ILE . 5.6 p -114.8 114.62 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.658 ' HB3' ' HB2' ' A' ' 92' ' ' ALA . 9.0 p90 -121.76 147.92 45.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.41 -171.57 14.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.677 HG11 ' HA ' ' A' ' 42' ' ' LEU . 27.3 m -59.8 -40.13 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.34 -33.47 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -90.04 8.71 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.702 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 73.94 45.98 24.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.591 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 7.3 mm-40 -133.07 126.98 33.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . 170.66 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' ALA . 4.1 ptp180 -52.06 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -10.54 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.19 29.88 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -112.07 166.8 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.67 171.27 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.127 HD11 HD13 ' A' ' 44' ' ' LEU . 1.5 tm? -112.3 120.0 40.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.449 ' N ' HD13 ' A' ' 42' ' ' LEU . 14.4 m-20 -98.11 114.21 26.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.127 HD13 HD11 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -129.61 125.1 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.649 HD11 ' HG2' ' A' ' 77' ' ' GLU . 7.9 tp -100.5 113.34 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.598 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -130.68 159.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.59 121.94 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 71.7 m-85 -92.2 126.55 37.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.59 -174.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.33 150.65 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.94 72.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -95.62 139.49 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -116.09 168.9 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -29.43 63.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.18 -42.26 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.07 -36.96 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.599 ' NE2' ' CG ' ' A' ' 48' ' ' PHE . 23.7 m170 -59.8 -48.12 82.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.4 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.689 ' HA ' HD23 ' A' ' 62' ' ' LEU . 6.3 mtt180 -68.69 -34.91 76.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.735 HD22 ' CB ' ' A' ' 20' ' ' HIS . 1.8 tp -66.66 -46.11 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -64.26 -39.96 95.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -67.34 -36.78 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.06 68.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.621 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -69.16 -48.86 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 57.2 mt-10 -60.49 -27.43 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.8 -52.19 12.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -70.16 -41.71 73.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.872 HD22 HG21 ' A' ' 72' ' ' VAL . 7.5 mp -79.95 -13.12 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 41.73 24.95 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 68' ' ' LEU . 26.0 m -148.29 156.28 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.97 131.86 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.872 HG21 HD22 ' A' ' 68' ' ' LEU . 2.7 t -133.84 136.16 54.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.21 110.8 16.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.598 HG23 ' CG2' ' A' ' 46' ' ' VAL . 61.5 mt -96.16 145.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.496 HG12 HD13 ' A' ' 45' ' ' LEU . 2.1 t -121.76 141.99 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' GLY . 6.0 p -110.63 121.09 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.649 ' HG2' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.74 -46.68 88.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.46 -36.56 54.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.08 139.99 56.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -80.52 172.03 10.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.94 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -26.58 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.018 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.1 mp -81.6 -38.63 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.523 ' HG2' HD11 ' A' ' 89' ' ' LEU . 33.4 ttm180 -53.5 -50.47 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -41.99 72.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -71.8 -36.61 70.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 84' ' ' LEU . 48.7 t -64.52 -48.8 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -57.62 -40.75 79.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -24.16 15.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.6 mm-40 -105.8 -40.65 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -54.46 132.15 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 91' ' ' GLU . 32.9 pt -126.46 133.23 24.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.03 113.72 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.828 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.0 t -67.17 145.66 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -148.5 19.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.844 ' HG2' HD11 ' A' ' 6' ' ' LEU . 1.8 ttm -85.58 132.92 34.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 6' ' ' LEU . 8.2 m-20 -126.34 158.18 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.9 mm? -63.24 -47.18 83.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.56 -41.67 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -74.77 -33.46 62.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 1' ' ' MET . 0.3 OUTLIER -57.28 -35.84 70.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -69.78 -40.11 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.92 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.11 -36.61 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HD3' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -60.68 -44.75 96.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.11 -45.87 89.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.55 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 9' ' ' ARG . 54.6 t -68.05 -36.84 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.46 -42.88 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -34.7 74.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.006 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -75.37 -41.6 56.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.971 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.83 -41.44 86.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.43 77.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -38.78 77.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 11.5 m-70 -67.64 -36.83 81.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.568 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 128.04 41.72 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -114.24 110.83 20.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 24' ' ' ARG . 18.2 m -91.42 -52.96 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.529 ' N ' HG23 ' A' ' 23' ' ' VAL . 8.5 mmt-85 -78.09 85.82 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CB ' HD13 ' A' ' 14' ' ' LEU . 3.4 m -89.73 103.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.54 156.13 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 HD12 ' A' ' 44' ' ' LEU . 2.3 p -122.71 125.16 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.77 ' CG ' HG13 ' A' ' 88' ' ' VAL . 6.1 p90 -123.07 148.59 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.98 -165.19 16.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -69.69 -36.91 76.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 36' ' ' ALA . 90.3 t -58.23 -33.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' HD11 ' A' ' 93' ' ' ILE . . . -53.58 -39.99 65.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -17.96 48.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.89 37.03 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.1 mm-40 -122.61 129.63 52.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 169.69 109.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.76 -0.39 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.65 29.21 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.9 t -103.13 164.81 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -102.13 161.71 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -114.48 119.67 37.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.518 ' N ' HD22 ' A' ' 42' ' ' LEU . 11.8 m-20 -98.63 125.42 43.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.8 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.81 125.41 35.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.691 ' HG ' HG11 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -99.59 112.38 24.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.42 159.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' CD ' ' A' ' 77' ' ' GLU . . . -123.56 120.08 31.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.77 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 98.9 m-85 -93.06 129.57 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' CD ' HG11 ' A' ' 23' ' ' VAL . 9.1 mm-40 -53.71 -171.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.77 16.73 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.42 34.1 2.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 29.2 mmt180 -131.12 159.36 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.2 p -128.93 168.97 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -60.87 -32.35 71.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -43.25 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 20' ' ' HIS . 8.7 t0 -70.51 -36.46 73.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.77 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -58.62 -51.89 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.626 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -66.48 -39.77 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -62.58 -34.27 76.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.841 HD11 ' SG ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -71.12 -35.14 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.45 -37.01 84.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -66.61 -30.8 71.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.006 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -72.73 -45.05 60.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.715 HD22 HG13 ' A' ' 13' ' ' VAL . 1.9 mt -64.37 -41.79 96.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 3.2 mt-10 -60.46 -36.26 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.66 -51.07 9.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD22 ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.45 -45.67 86.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.647 HD11 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -81.52 -13.45 58.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 50.24 20.23 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 68' ' ' LEU . 19.9 m -142.17 164.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -55.01 138.6 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.714 HG13 HD12 ' A' ' 42' ' ' LEU . 81.8 t -133.2 139.48 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -121.8 111.57 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.66 HG23 ' CG2' ' A' ' 46' ' ' VAL . 56.1 mt -101.78 144.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.5 t -135.66 145.42 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 p -107.85 130.02 55.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.523 ' CD ' ' HB2' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -48.3 -41.48 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -23.55 67.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -96.22 -16.18 38.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.6 mt -74.15 -178.8 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -104.8 166.11 12.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 -44.41 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -77.85 -26.59 49.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.784 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -83.79 -40.51 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 16.1 ttt-85 -52.76 -50.11 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.68 -38.39 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.9 -34.94 69.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.77 HG13 ' CG ' ' A' ' 28' ' ' PHE . 97.8 t -71.95 -34.27 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 95.5 mt -64.2 -51.67 62.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 12.9 ptm180 -66.03 -40.54 91.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 93' ' ' ILE . 64.2 mm-40 -70.26 -55.95 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 88' ' ' VAL . . . -39.75 158.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 91' ' ' GLU . 44.4 pt -147.83 133.49 9.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.05 114.42 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD13 ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.8 m -50.65 139.72 15.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.011 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.7 -161.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER 54.49 97.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' HD22 ' A' ' 6' ' ' LEU . 6.3 m-20 -107.43 166.3 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.831 HD21 ' HA3' ' A' ' 34' ' ' GLY . 1.9 mp -69.78 -45.22 68.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -43.95 63.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -72.8 -33.15 66.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.83 -34.59 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -72.03 -41.14 67.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -52.09 65.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -65.04 -33.34 75.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.756 HH12 HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.64 -35.22 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.36 -47.84 59.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.79 72.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 9' ' ' ARG . 12.7 t -67.44 -36.54 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.08 -43.42 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.5 t -67.92 -35.53 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.96 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.99 -41.09 52.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.96 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.25 -30.84 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.07 -33.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -18.88 61.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 63.1 m80 -98.27 -34.57 10.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 123.64 75.81 0.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -145.76 103.24 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -101.98 -36.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 28.6 mmt180 -83.34 49.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 14' ' ' LEU . 3.3 m -66.6 101.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -152.07 155.22 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.756 HG21 HH12 ' A' ' 10' ' ' ARG . 3.1 t -111.55 125.51 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 3.7 p90 -124.45 137.18 54.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.67 -162.2 12.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -31.24 66.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.01 HG12 ' HB2' ' A' ' 36' ' ' ALA . 20.6 m -58.14 -45.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.884 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.12 -32.48 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -18.52 37.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.831 ' HA3' HD21 ' A' ' 3' ' ' LEU . . . 106.99 31.39 3.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -123.35 126.4 46.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 1.01 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -175.64 111.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.81 160.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -80.38 -3.63 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.92 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 -172.93 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.2 167.06 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.836 HD11 HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -108.37 118.38 36.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.712 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.2 m-20 -83.96 122.96 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.836 HD13 HD11 ' A' ' 42' ' ' LEU . 2.6 tp -132.83 125.31 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.863 HD11 ' HG2' ' A' ' 77' ' ' GLU . 10.4 tp -96.13 116.98 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.49 156.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.16 122.31 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.665 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 96.2 m-85 -92.85 122.79 35.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.18 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.75 150.35 29.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -34.53 5.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -77.7 158.3 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.7 p -136.41 174.04 11.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.44 66.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -44.31 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -70.14 -37.01 75.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.665 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.57 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.629 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -65.86 -36.74 84.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.928 HD21 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.24 -45.69 90.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.76 -44.4 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -65.41 -35.54 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.39 -37.87 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 60' ' ' LEU . 1.7 mt -69.01 -36.72 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' GLY . 33.9 mt-10 -63.92 -29.25 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.74 -50.57 13.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 13' ' ' VAL . 6.7 mt -65.8 -43.25 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 11.2 mt -82.28 -14.77 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.23 18.45 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.496 HG21 ' SD ' ' A' ' 1' ' ' MET . 13.1 m -146.94 164.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -50.3 136.27 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 70' ' ' VAL . 2.5 t -133.6 140.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' LEU . 3.5 t70 -122.17 114.29 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 60.0 mt -102.81 142.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG11 HD21 ' A' ' 80' ' ' LEU . 2.5 t -117.09 144.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' ARG . 12.7 p -114.97 120.55 40.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.863 ' HG2' HD11 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -38.4 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.59 -51.79 68.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -66.15 -38.58 94.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -55.64 136.53 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -70.54 165.76 42.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 -25.01 49.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.952 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -82.99 -36.45 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HD3' HD11 ' A' ' 89' ' ' LEU . 7.3 ttm180 -52.75 -50.82 62.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.817 ' HA ' HD12 ' A' ' 89' ' ' LEU . 1.1 tt0 -54.14 -42.87 70.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.35 -36.74 68.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 80' ' ' LEU . 39.6 t -64.85 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 86' ' ' GLU . 8.9 mt -56.2 -45.92 79.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -23.31 9.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 93' ' ' ILE . 18.2 mm-40 -103.8 -26.53 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -59.72 123.42 16.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.884 HG12 ' HB1' ' A' ' 32' ' ' ALA . 2.2 pp -121.0 144.25 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.1 Cg_endo -75.03 145.16 31.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 95' ' ' LEU . 1.9 tm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 31.4 m 40.54 79.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -178.04 137.3 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.05 ' CE ' HD11 ' A' ' 6' ' ' LEU . 6.3 ptm -166.2 164.49 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.783 ' O ' HD13 ' A' ' 6' ' ' LEU . 6.3 m-20 -164.74 -176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.593 HD21 ' CA ' ' A' ' 34' ' ' GLY . 1.7 mp -69.3 -46.33 67.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -46.31 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.14 -34.39 72.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.05 HD11 ' CE ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -57.48 -39.17 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.36 64.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.49 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.078 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.1 -30.85 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.33 -46.72 76.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.53 -43.8 93.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.52 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.078 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 9.9 t -67.15 -36.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.2 -38.62 91.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.03 -42.9 96.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 64' ' ' LEU . 4.3 pp -75.91 -31.67 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.58 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -56.61 -42.47 78.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.326 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -69.18 -33.06 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -73.76 -36.92 65.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.909 ' HB2' HD22 ' A' ' 60' ' ' LEU . 66.5 m80 -84.79 5.34 28.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.49 72.29 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -140.61 108.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.553 HG23 ' N ' ' A' ' 24' ' ' ARG . 17.3 m -97.19 -54.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.553 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -75.87 75.21 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.551 HG11 HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -85.99 112.1 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.77 155.18 37.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.71 114.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.738 ' CD2' HG13 ' A' ' 88' ' ' VAL . 19.6 p90 -122.36 147.99 45.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 119.71 -165.72 13.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.82 70.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.944 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.717 HG21 HD23 ' A' ' 42' ' ' LEU . 36.7 t -62.53 -34.98 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -58.34 -41.35 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -2.21 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.593 ' CA ' HD21 ' A' ' 3' ' ' LEU . . . 83.89 31.94 25.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 3.6 tp10 -125.17 127.8 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -159.86 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.57 -179.93 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.05 -0.68 57.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -106.91 -7.21 17.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -112.76 -179.01 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.6 173.42 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.02 HD12 HG13 ' A' ' 72' ' ' VAL . 1.4 tm? -102.18 123.36 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -102.3 116.85 33.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.969 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.88 126.09 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' CD1' ' A' ' 80' ' ' LEU . 6.9 tp -98.36 115.22 27.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -127.64 158.16 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -128.13 120.33 27.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.795 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 88.4 m-85 -93.12 124.17 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' OE2' HG11 ' A' ' 23' ' ' VAL . 1.9 mm-40 -61.69 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.71 145.59 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.87 -20.5 46.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HE ' ' N ' ' A' ' 52' ' ' ARG . 2.3 mmp_? -76.7 126.23 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 0.806 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -109.78 174.08 6.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -27.13 58.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -44.52 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -71.21 -36.97 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.795 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -65.53 -50.2 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.552 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.14 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.55 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.8 mtm180 -68.93 -35.5 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 20' ' ' HIS . 1.3 tp -66.17 -48.2 71.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -41.98 97.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.575 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -71.88 -33.76 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -68.97 -37.53 78.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 16' ' ' LEU . 1.2 mt -70.79 -40.68 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 58.0 mt-10 -71.56 -27.13 62.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.79 -45.51 34.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -63.94 -45.83 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.942 ' O ' HG13 ' A' ' 70' ' ' VAL . 41.6 mt -85.27 -10.09 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.46 19.34 4.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.942 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.4 m -127.86 -171.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HA ' ' OE2' ' A' ' 65' ' ' GLU . 8.4 mmt180 -84.55 132.81 34.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.02 HG13 HD12 ' A' ' 42' ' ' LEU . 51.4 t -133.74 145.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.04 113.29 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.48 HG23 ' CG2' ' A' ' 46' ' ' VAL . 6.9 mt -99.03 144.2 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.505 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.6 t -131.16 145.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 79' ' ' GLY . 62.1 p -109.47 123.91 50.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -42.6 -51.98 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.19 56.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -83.13 -20.17 61.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.658 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.0 mt -70.33 -174.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -113.74 170.25 5.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -78.88 -24.39 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.93 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.4 mp -82.52 -46.93 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 89' ' ' LEU . 20.9 ttm180 -53.1 -50.09 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.75 -41.07 85.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -71.88 -36.59 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.738 HG13 ' CD2' ' A' ' 28' ' ' PHE . 54.3 t -64.0 -50.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 7.1 mt -56.53 -38.42 71.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -26.75 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.7 mm-40 -106.21 -44.28 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.622 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -43.76 140.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 91' ' ' GLU . 30.9 pt -139.57 128.8 13.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.494 HD13 ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' -1' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' -2' ' ' GLY . 44.7 m 39.41 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 1' ' ' MET . 15.9 t-160 -175.4 133.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 0.0 OUTLIER -178.38 111.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 9.7 m-20 -103.6 145.78 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.09 -45.9 71.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -56.36 -41.54 76.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -73.48 -31.74 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.579 HD13 ' HD3' ' A' ' 9' ' ' ARG . 1.5 mm? -55.61 -35.7 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -43.45 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.33 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.772 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -34.86 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' O ' HD23 ' A' ' 14' ' ' LEU . 4.4 mtt-85 -66.31 -31.86 72.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -46.77 63.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -36.59 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 9' ' ' ARG . 54.8 t -67.21 -35.04 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.838 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.62 -43.63 97.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -36.55 80.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.895 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.23 -39.52 59.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.895 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.67 -43.05 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.58 70.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -18.87 62.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 1.026 ' HB2' HD22 ' A' ' 60' ' ' LEU . 95.8 m-70 -100.0 6.65 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.627 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 91.08 -14.04 64.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 138.22 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -139.03 -47.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -69.31 58.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.838 HG21 ' CD1' ' A' ' 14' ' ' LEU . 24.7 m -67.58 104.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.62 154.79 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 44' ' ' LEU . 2.0 t -112.28 122.12 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CD1' HG13 ' A' ' 88' ' ' VAL . 4.4 p90 -124.95 134.26 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.39 -160.33 14.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -30.98 64.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.794 HG11 ' HA ' ' A' ' 42' ' ' LEU . 29.5 m -57.26 -48.44 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.27 -35.55 60.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 6.45 24.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.67 48.8 11.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.9 mp0 -131.45 125.0 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 169.34 104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -166.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.17 17.95 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -151.3 22.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 173.56 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.27 151.75 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.794 ' HA ' HG11 ' A' ' 31' ' ' VAL . 51.6 tp -102.23 110.14 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.665 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.2 m-20 -91.4 119.62 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 43' ' ' ASP . 3.6 mp -132.01 125.66 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD22 HG11 ' A' ' 88' ' ' VAL . 9.7 tp -102.71 112.54 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.733 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -129.72 159.45 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -125.79 128.87 48.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 41.9 m-85 -90.39 115.94 27.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 16.1 pt-20 -79.63 -143.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.2 mt-10 -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.59 38.63 4.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.628 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -132.38 159.28 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 p -141.59 165.12 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -58.26 -42.98 87.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -40.64 71.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -38.22 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.769 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m170 -59.52 -51.23 70.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.59 86.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' NH1' HD21 ' A' ' 62' ' ' LEU . 13.5 mtt-85 -63.38 -34.2 77.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.026 HD22 ' HB2' ' A' ' 20' ' ' HIS . 3.6 tp -62.4 -37.99 87.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 6.5 tptp -64.71 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.481 HD21 ' NH1' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -65.7 -40.83 92.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.755 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.53 -37.16 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.833 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -70.29 -33.46 71.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 19.0 mt-10 -67.6 -32.21 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.31 -51.22 13.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 13' ' ' VAL . 2.4 mt -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.733 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -82.76 -4.58 58.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.5 ' C ' HG13 ' A' ' 70' ' ' VAL . . . 39.64 28.03 0.12 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 68' ' ' LEU . 22.2 m -156.37 154.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -44.76 136.61 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.716 HG13 HD23 ' A' ' 42' ' ' LEU . 5.8 t -133.32 143.61 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -120.02 110.36 16.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.833 HD11 ' HG ' ' A' ' 64' ' ' LEU . 14.0 mt -104.98 145.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 17.6 t -134.81 144.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 p -104.66 120.87 42.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -41.33 -44.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.7 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.66 -33.52 66.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mt -56.29 172.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.94 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -106.75 170.84 5.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -79.3 -24.62 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -83.45 -49.34 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 17.5 ttm180 -53.88 -50.28 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -54.51 -40.9 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -71.89 -36.63 70.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 84' ' ' LEU . 39.9 t -63.09 -45.71 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 18.4 mt -55.88 -38.86 70.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -25.24 11.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.7 mm-40 -110.18 -29.6 8.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -51.86 124.69 13.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 91' ' ' GLU . 22.6 pt -122.99 142.73 38.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -74.98 134.02 17.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.821 ' C ' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m 44.72 76.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.429 ' O ' ' CB ' ' A' ' 1' ' ' MET . 22.0 t60 -171.23 130.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HG3' HD21 ' A' ' 6' ' ' LEU . 5.2 ttm 165.96 105.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.532 ' O ' HD22 ' A' ' 6' ' ' LEU . 14.9 m-20 -116.46 160.4 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -47.63 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -54.09 -40.42 67.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.3 m -76.59 -30.86 57.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.548 HD13 ' HD3' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.66 -35.85 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -43.57 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -52.57 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.741 ' NH1' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.17 -32.97 74.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.755 ' NH2' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -60.44 -48.74 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.92 -47.58 85.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -69.78 -36.1 75.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.728 HG23 HD22 ' A' ' 67' ' ' LEU . 16.0 t -68.61 -34.58 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.686 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.97 -42.51 94.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -62.79 -46.22 89.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.2 pp -73.01 -35.44 66.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.633 ' N ' HD12 ' A' ' 16' ' ' LEU . 1.3 m -58.45 -42.07 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.98 84.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -73.71 -18.7 60.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.859 ' HB3' HD22 ' A' ' 60' ' ' LEU . 8.6 m-70 -83.75 -34.61 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.3 -7.96 4.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -80.12 118.53 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.685 HG11 ' CD ' ' A' ' 49' ' ' GLU . 15.4 m -98.63 -49.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 23' ' ' VAL . 8.2 mtt180 -96.07 86.67 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.686 HG11 HD22 ' A' ' 14' ' ' LEU . 1.9 t -92.66 113.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 94' ' ' PRO . 1.1 mtt180 -145.78 155.79 43.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.641 HG11 HG12 ' A' ' 31' ' ' VAL . 2.0 t -102.64 124.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 3.1 p90 -124.11 133.61 53.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.97 -150.64 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -74.03 -31.57 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 42' ' ' LEU . 55.7 t -58.61 -38.87 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.19 -43.32 67.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -79.54 -18.21 52.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.63 4.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 8.1 mt-10 -126.59 131.33 51.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 162.32 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 40' ' ' SER . 9.4 ptp180 -121.98 -177.5 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.55 -7.36 57.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -112.07 15.77 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 41' ' ' ASP . 37.0 t -129.53 11.56 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.7 OUTLIER 52.07 173.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -116.76 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.65 ' N ' HD23 ' A' ' 42' ' ' LEU . 8.6 m-20 -75.95 111.86 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 42' ' ' LEU . 1.1 tp -131.21 125.42 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.615 HD11 ' CG ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -104.14 112.39 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.68 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -131.03 159.83 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.15 120.62 34.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.712 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 91.0 m-85 -91.71 129.75 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.685 ' CD ' HG11 ' A' ' 23' ' ' VAL . 5.1 mm-40 -63.02 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.6 126.42 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.77 -13.24 20.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -76.3 127.06 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -111.9 171.14 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -28.49 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -41.7 98.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.6 -36.95 73.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.712 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 11.9 m170 -61.74 -50.2 73.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.532 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.64 91.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.638 ' HA ' HD23 ' A' ' 62' ' ' LEU . 21.5 mtt-85 -63.49 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 20' ' ' HIS . 3.9 tp -74.79 -43.61 53.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.05 -38.57 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -72.93 -34.44 66.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.63 91.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.958 ' HB2' HG11 ' A' ' 72' ' ' VAL . 2.2 mt -72.66 -29.05 63.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 4.3 mt-10 -66.65 -32.6 74.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.7 10.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.84 -45.84 87.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.741 HD21 ' NH1' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -81.85 -14.54 56.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 49.9 17.68 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 68' ' ' LEU . 14.2 m -138.9 168.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.97 137.25 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.958 HG11 ' HB2' ' A' ' 64' ' ' LEU . 45.6 t -133.74 130.6 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -122.61 109.55 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.68 HG23 ' CG2' ' A' ' 46' ' ' VAL . 31.4 mt -98.35 145.04 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 33.4 t -132.48 138.73 51.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 p -100.06 121.06 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.615 ' CG ' HD11 ' A' ' 45' ' ' LEU . 67.4 mt-10 -41.01 -30.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -53.67 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.44 -24.01 72.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 80' ' ' LEU . 3.8 mt -62.31 -177.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.908 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -109.72 166.56 10.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.94 -45.32 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -79.22 -24.78 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.908 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 29.5 mt -83.46 -48.46 10.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 73.1 ttt180 -51.84 -50.09 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.46 -39.93 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.63 -35.94 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 45' ' ' LEU . 48.3 t -65.75 -43.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 37.0 mt -55.54 -47.03 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -23.76 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.5 mm-40 -100.02 -45.8 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.62 137.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.0 pp -134.86 121.2 14.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.42 ' N ' ' HG2' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 72.1 p 54.54 83.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -172.53 119.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.75 ' HE2' HD11 ' A' ' 6' ' ' LEU . 1.1 tpt -146.9 87.84 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' HD13 ' A' ' 6' ' ' LEU . 85.8 m-20 -117.98 160.44 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.529 HD11 ' HA2' ' A' ' 34' ' ' GLY . 3.4 mm? -63.61 -46.62 84.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -43.85 72.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.17 -33.38 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -56.6 -38.29 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.439 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 7.7 mmm-85 -70.12 -42.94 71.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.94 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.989 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.1 -37.85 88.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.9 -46.97 87.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.989 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 5.6 t -66.61 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.732 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -62.72 -39.57 94.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -44.2 96.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.1 pp -74.13 -31.76 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.59 ' SG ' HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -57.75 -42.54 84.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.51 -33.56 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -71.21 -41.13 70.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 37.3 m80 -67.98 -34.47 76.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 120.97 42.35 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -114.53 117.09 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 24' ' ' ARG . 4.3 m -96.32 -50.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.614 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -82.79 110.23 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.732 HG21 ' CD1' ' A' ' 14' ' ' LEU . 15.8 m -119.75 106.4 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -152.62 154.79 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.578 ' C ' ' HB2' ' A' ' 32' ' ' ALA . 2.2 t -102.08 123.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 2.1 p90 -123.29 133.0 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.72 -160.0 14.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -32.96 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.686 HG11 ' HA ' ' A' ' 42' ' ' LEU . 21.0 m -58.77 -45.8 91.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB2' ' C ' ' A' ' 27' ' ' VAL . . . -56.9 -38.11 72.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.85 0.62 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.529 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 82.78 37.57 13.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.7 mm-40 -123.27 125.62 45.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 162.07 109.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -172.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.56 -5.02 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -124.97 34.34 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.537 ' OG ' ' HB1' ' A' ' 36' ' ' ALA . 90.7 p -117.43 169.48 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.72 163.46 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.75 126.34 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.714 ' N ' HD22 ' A' ' 42' ' ' LEU . 16.3 m-20 -104.7 125.49 50.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.613 ' HG ' HD11 ' A' ' 42' ' ' LEU . 80.3 mt -134.58 125.27 26.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -103.55 112.45 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.569 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.05 159.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -120.73 120.27 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.758 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 71.7 m-85 -93.94 132.34 38.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.39 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.29 16.32 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 28.51 3.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 27.4 mmt180 -125.3 146.86 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 p -117.0 172.89 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -60.38 -28.16 67.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -44.37 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.45 -36.94 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.758 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -59.37 -51.48 69.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -63.35 -38.75 92.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.71 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.46 -47.44 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 72' ' ' VAL . 1.2 tptm -57.31 -51.85 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.758 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.83 -36.02 82.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 59' ' ' ARG . . . -64.23 -39.79 94.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD21 ' CD2' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -72.21 -29.2 63.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.3 mt-10 -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -44.45 38.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.958 HD22 HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -64.37 -46.38 83.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 72' ' ' VAL . 3.4 mt -83.29 -14.56 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.04 20.11 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 68' ' ' LEU . 21.0 m -141.75 149.76 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -40.14 135.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG13 HD12 ' A' ' 42' ' ' LEU . 2.4 t -133.25 143.19 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 111.87 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.453 HG23 ' CG2' ' A' ' 46' ' ' VAL . 23.2 mt -102.22 137.31 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.3 t -120.1 145.54 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -114.62 131.32 56.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.17 -48.88 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -51.59 -54.42 27.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.4 -28.2 71.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -62.61 -175.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.767 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -116.34 169.93 6.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.33 -25.44 46.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.767 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 18.0 mt -83.39 -46.38 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 39.6 ttt180 -52.71 -51.29 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.718 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.1 tt0 -55.24 -41.58 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.29 69.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 84' ' ' LEU . 39.7 t -59.88 -42.55 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 86' ' ' GLU . 9.7 mt -56.19 -37.55 69.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -23.01 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.959 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.5 mm-40 -105.42 -43.95 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.26 116.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.959 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -118.77 144.76 36.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.6 Cg_endo -74.97 140.89 26.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.801 ' C ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 67.7 p -151.36 89.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' -1' ' ' SER . 42.8 m80 -155.65 122.48 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HE1' HD11 ' A' ' 6' ' ' LEU . 5.5 ptm -155.91 166.27 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.656 ' O ' HD22 ' A' ' 6' ' ' LEU . 2.9 m-20 -149.16 161.75 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.67 -44.23 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.14 -44.9 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -62.34 -34.82 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -57.21 -44.25 83.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -70.99 -35.8 72.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -51.16 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.051 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.23 -30.9 68.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.69 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.62 -42.32 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.96 -46.56 87.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.83 -37.7 67.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.051 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 20.2 t -66.01 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.5 -42.79 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -33.74 72.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.928 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.49 -42.46 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.928 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -57.4 -42.62 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.276 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.45 70.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -72.61 -20.06 61.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.513 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 64.4 m80 -98.18 -4.38 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' C ' ' HA ' ' A' ' 48' ' ' PHE . . . 104.09 -13.29 52.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.755 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -61.75 129.99 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -49.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -78.84 60.26 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.708 ' HA ' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -78.06 101.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -138.41 156.39 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 31' ' ' VAL . 2.5 t -102.22 119.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 1.9 p90 -124.66 131.21 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.07 15.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -30.95 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG12 ' HB2' ' A' ' 36' ' ' ALA . 18.9 m -58.06 -42.47 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . . . -53.03 -36.79 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -18.34 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.73 33.25 4.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.38 125.1 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.78 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.641 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -177.57 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -49.9 178.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -13.87 60.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -111.44 39.45 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 19.3 m -142.92 169.61 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.31 178.92 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -115.19 116.61 28.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.81 ' N ' HD22 ' A' ' 42' ' ' LEU . 71.7 m-20 -89.87 119.87 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 42' ' ' LEU . 1.4 tp -135.53 125.13 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.717 HD13 HD12 ' A' ' 80' ' ' LEU . 12.2 tp -99.3 113.51 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -129.22 158.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -127.19 120.75 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 53.5 m-85 -88.48 125.45 34.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -124.61 177.69 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 71.98 -146.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.85 72.86 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -109.32 154.46 22.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 p -134.63 174.16 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -34.43 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -41.86 72.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -70.8 -37.4 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 10.6 m170 -59.07 -52.07 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.4 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.1 mmt85 -69.45 -34.02 73.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.918 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.63 -48.35 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -62.49 -45.79 91.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.736 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -67.66 -31.68 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.691 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.38 -45.83 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -60.3 -42.2 95.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 75.2 mt-10 -67.77 -26.8 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -49.42 23.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.77 -46.04 87.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.825 ' O ' HG13 ' A' ' 70' ' ' VAL . 17.1 mt -85.12 -5.7 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.11 22.86 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 68' ' ' LEU . 18.2 m -134.45 -175.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -79.85 130.41 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.779 HG13 HD12 ' A' ' 42' ' ' LEU . 11.7 t -133.27 136.73 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.07 111.37 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.693 HD11 ' HG ' ' A' ' 64' ' ' LEU . 27.8 mt -97.29 143.93 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.524 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 16.8 t -125.48 144.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 p -109.6 131.91 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.701 ' HG2' HD11 ' A' ' 45' ' ' LEU . 14.0 mt-10 -48.52 -46.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -48.37 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.83 -4.73 55.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.717 HD12 HD13 ' A' ' 45' ' ' LEU . 3.8 mt -88.16 -179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -102.59 164.37 15.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -25.12 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.976 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -83.32 -48.98 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.8 ttm180 -53.25 -50.92 63.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 89' ' ' LEU . 4.6 tt0 -54.74 -42.3 71.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -71.55 -37.05 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 84' ' ' LEU . 82.4 t -59.43 -37.03 67.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 86' ' ' GLU . 55.2 mt -55.94 -44.55 78.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.26 -23.39 8.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.6 mm-40 -103.1 -45.77 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -39.26 130.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pt -127.59 121.29 22.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 95.4 p -59.01 102.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 1' ' ' MET . 4.2 t60 -169.21 137.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.454 ' CB ' ' O ' ' A' ' 0' ' ' HIS . 1.5 ttm 162.49 132.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.609 ' O ' HD12 ' A' ' 6' ' ' LEU . 5.5 m-20 -133.73 158.9 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.74 -45.86 92.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -65.32 -44.65 87.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.3 m -66.1 -35.31 80.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -54.41 -42.89 70.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HD2' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -57.69 -28.32 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.32 -54.66 44.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.778 ' HB3' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -78.88 -32.23 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.809 ' NH2' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -55.33 -37.24 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.2 -46.36 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -71.37 -35.57 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.809 HG21 ' NH2' ' A' ' 10' ' ' ARG . 40.5 t -64.97 -34.33 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.701 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.52 -42.31 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -45.33 90.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.4 pp -73.64 -36.62 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.8 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.8 m -58.39 -41.26 84.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -67.98 -33.65 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -73.33 -18.13 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 37.6 m80 -93.84 4.76 53.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.58 -24.73 29.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -47.62 156.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -147.2 123.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 8.6 mmt180 84.58 -51.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.815 ' HA ' HG12 ' A' ' 46' ' ' VAL . 7.5 t 56.22 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 4.6 mtm180 -125.75 154.79 42.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.667 HG23 HD23 ' A' ' 44' ' ' LEU . 1.5 p -114.94 119.34 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.762 ' CD2' HG13 ' A' ' 88' ' ' VAL . 3.8 p90 -120.66 148.04 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.16 -164.23 20.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -72.51 -36.8 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 36' ' ' ALA . 24.4 t -58.53 -36.01 57.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.3 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.8 -16.79 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.37 32.54 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 3.3 mm-40 -127.64 133.11 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 173.42 106.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -54.91 177.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.8 -1.0 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.09 21.87 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 8.6 t -97.64 156.25 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 172.74 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD23 HG22 ' A' ' 72' ' ' VAL . 19.1 tp -115.14 111.17 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.67 125.68 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.667 HD23 HG23 ' A' ' 27' ' ' VAL . 65.3 mt -132.12 126.22 33.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.661 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -100.39 112.14 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.815 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -132.12 153.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -128.5 120.54 26.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HE2' HD12 ' A' ' 60' ' ' LEU . 34.0 m-85 -90.15 127.88 36.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -100.01 -162.1 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 5.5 tt0 49.7 -150.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.76 84.54 0.36 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -110.01 156.43 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -113.06 168.93 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.71 -30.04 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -44.05 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -69.76 -38.05 76.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 21.0 m170 -63.47 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.74 82.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.757 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.0 mtt180 -69.53 -34.1 73.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.53 -49.55 76.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.8 -43.99 86.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -61.64 -36.68 81.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.31 -36.42 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.785 ' CD2' HG13 ' A' ' 13' ' ' VAL . 1.4 mt -71.13 -44.06 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.3 mt-10 -65.18 -28.65 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.93 -48.86 19.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.23 -45.84 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -82.31 -15.0 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.97 20.48 1.92 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.0 m -136.38 157.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.86 128.37 20.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.749 HG22 HD23 ' A' ' 42' ' ' LEU . 91.1 t -133.82 139.54 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -120.53 109.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.763 HG23 ' CG2' ' A' ' 46' ' ' VAL . 88.7 mt -93.49 144.97 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 80' ' ' LEU . 2.3 t -125.89 143.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLY . 4.4 p -107.63 120.83 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.513 ' CG ' HD21 ' A' ' 45' ' ' LEU . 29.2 mt-10 -42.73 -35.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -42.36 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -74.85 -37.23 45.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.921 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.68 140.23 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -73.69 170.53 13.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -25.26 53.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.997 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -82.79 -35.82 26.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.502 ' HG2' HD11 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -53.29 -49.99 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.89 -41.26 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.75 -36.98 70.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 84' ' ' LEU . 45.0 t -64.9 -49.32 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 6.7 mt -58.17 -41.24 83.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -53.63 -26.89 24.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.58 -37.02 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 26' ' ' ARG . . . -57.25 135.45 56.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.2 pt -126.75 132.61 24.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.78 9.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.9 p -64.39 83.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -170.93 132.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.588 ' SD ' HG21 ' A' ' 70' ' ' VAL . 2.2 ttm 168.93 97.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.571 ' O ' HD22 ' A' ' 6' ' ' LEU . 1.3 m-20 -108.2 161.18 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.674 HD11 ' CA ' ' A' ' 34' ' ' GLY . 1.6 mm? -55.22 -46.21 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 -43.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' NH1' ' A' ' 9' ' ' ARG . 22.2 m -68.5 -32.4 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD13 ' HD3' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -55.53 -49.03 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.32 -54.87 41.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -75.77 -30.29 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.837 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.99 -33.07 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -47.68 60.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.08 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.848 HG21 HD11 ' A' ' 68' ' ' LEU . 73.3 t -58.52 -43.93 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -57.92 -43.08 86.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.77 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.75 -40.64 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.954 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.2 m -58.39 -41.38 84.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.62 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -33.48 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 53.2 m80 -80.27 -11.79 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.35 26.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -70.57 104.34 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.71 -41.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -83.71 62.29 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG11 ' HG ' ' A' ' 14' ' ' LEU . 38.4 t -82.25 112.35 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB3' ' CA ' ' A' ' 94' ' ' PRO . 6.1 ptm180 -151.5 155.5 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.977 HG12 HG23 ' A' ' 31' ' ' VAL . 1.2 t -105.21 122.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.649 ' CG ' HG13 ' A' ' 88' ' ' VAL . 13.0 p90 -121.84 140.4 52.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.34 -151.5 17.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.411 ' OG ' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -72.65 -31.15 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 HG12 ' A' ' 27' ' ' VAL . 26.4 m -58.83 -45.48 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 27' ' ' VAL . . . -55.5 -33.61 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -82.78 -17.26 44.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.674 ' CA ' HD11 ' A' ' 3' ' ' LEU . . . 101.23 29.85 6.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' OG ' ' A' ' 30' ' ' SER . 5.8 tp10 -123.8 127.68 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.655 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -175.42 86.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 168.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.72 -9.04 40.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.53 -2.13 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.11 175.29 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.51 178.07 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.984 HD11 HD13 ' A' ' 44' ' ' LEU . 2.5 tm? -101.85 116.64 33.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.3 m-20 -94.88 116.37 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.984 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -130.84 125.57 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.649 HD22 HG11 ' A' ' 88' ' ' VAL . 2.6 tp -99.65 113.05 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.649 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -123.86 158.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.46 121.23 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 57.1 m-85 -92.66 120.54 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLU . 12.5 pt-20 -81.12 -167.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . 5.2 tt0 38.01 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.33 75.12 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.16 148.91 30.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.456 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 75.5 p -96.95 165.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -65.89 -28.81 69.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -44.29 82.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.3 -37.07 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 13.7 m170 -61.13 -50.54 72.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.565 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -65.5 -36.21 83.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -63.57 -40.2 96.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.851 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.89 -44.82 91.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 3.1 tptm -57.26 -52.2 66.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 58' ' ' ALA . 6.4 mp -60.55 -29.21 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.904 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.14 -41.93 69.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.731 HD22 HG13 ' A' ' 13' ' ' VAL . 2.6 mt -68.77 -42.35 77.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -58.6 -36.12 73.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.3 -49.73 14.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -45.4 85.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.848 HD11 HG21 ' A' ' 13' ' ' VAL . 5.8 mp -81.6 -13.86 57.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.11 20.94 2.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.0 m -147.58 148.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -36.84 133.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 70' ' ' VAL . 54.8 t -133.38 138.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -121.56 111.33 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.649 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.5 mt -102.6 142.75 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.4 t -131.62 145.74 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 p -106.94 122.86 47.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.512 ' CG ' HD11 ' A' ' 45' ' ' LEU . 53.8 mt-10 -42.35 -43.15 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -55.31 -49.78 71.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.77 -28.05 73.4 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.561 1.163 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.638 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.2 mt -59.89 -178.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -105.37 165.1 13.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -25.41 45.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 33.7 mt -83.84 -43.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 43.3 ttt180 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.87 -42.89 76.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -37.82 70.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 84' ' ' LEU . 56.1 t -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 9.6 mt -55.82 -38.12 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -23.39 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 93' ' ' ILE . 6.3 mm-40 -112.56 -43.29 3.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -44.72 128.59 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.5 pp -126.48 114.18 23.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.481 ' CA ' ' HB3' ' A' ' 26' ' ' ARG . 18.4 Cg_endo -74.96 116.01 4.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 HD13 ' A' ' 14' ' ' LEU . 2.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 0' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 71.0 p -82.65 116.3 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' -2' ' ' GLY . 0.0 OUTLIER -171.0 100.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.826 ' HE1' HD21 ' A' ' 6' ' ' LEU . 4.8 mtp -147.97 139.19 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 6' ' ' LEU . 4.1 m-20 -146.88 154.51 41.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.6 -46.86 86.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -44.66 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -33.9 72.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.826 HD21 ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.658 ' NH1' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.03 -35.45 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.721 ' O ' HD23 ' A' ' 14' ' ' LEU . 10.3 mtt-85 -62.26 -33.49 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.1 -47.99 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.49 -35.52 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 9' ' ' ARG . 37.7 t -67.28 -36.31 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -57.4 -43.7 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.95 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.86 -40.74 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.95 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -56.62 -39.5 73.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.52 76.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -67.61 -38.06 83.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 53.1 m-70 -71.56 -28.95 64.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 130.84 -15.28 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -60.98 114.27 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 49' ' ' GLU . 31.2 m -101.91 -43.55 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -98.24 80.4 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG11 HD22 ' A' ' 14' ' ' LEU . 2.7 t -88.56 104.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -137.65 155.42 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.439 HG22 ' CA ' ' A' ' 32' ' ' ALA . 2.5 p -107.82 125.5 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 9.9 p90 -123.66 140.79 52.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.66 -151.13 18.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -37.71 67.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.735 HG11 HD23 ' A' ' 42' ' ' LEU . 77.8 t -58.55 -33.96 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' CA ' HG22 ' A' ' 27' ' ' VAL . . . -58.78 -30.33 67.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -13.28 28.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.61 28.05 6.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.96 133.87 55.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.46 95.31 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -40.59 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.32 -2.57 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.99 17.81 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 37' ' ' ARG . 1.1 m -103.55 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.97 159.23 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.026 HD12 HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -80.32 116.96 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.48 ' N ' HD22 ' A' ' 42' ' ' LEU . 77.0 m-20 -99.59 120.57 39.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 42' ' ' LEU . 1.1 tp -135.58 125.4 25.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -99.07 111.79 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.618 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -123.0 157.57 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -128.58 121.05 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.75 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 31.8 m-85 -91.82 138.81 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 35.7 mt-10 -54.39 -162.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.83 1.52 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.54 42.01 1.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -129.93 138.96 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -89.44 149.97 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -57.49 -29.28 64.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -42.39 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.64 -36.92 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 15.1 m170 -58.66 -51.86 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.0 85.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 62' ' ' LEU . 24.5 mtt-85 -66.38 -34.01 77.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.588 HD12 ' HE2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -57.65 -39.78 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -65.29 -48.65 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -66.43 -31.3 71.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -69.82 -39.63 76.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.67 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -71.99 -34.57 69.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.9 mt-10 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.45 -51.17 13.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.556 HD13 ' CG2' ' A' ' 13' ' ' VAL . 5.9 mt -64.19 -43.81 93.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.658 HD11 ' NH1' ' A' ' 9' ' ' ARG . 6.8 mt -82.06 -14.6 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.59 21.78 0.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 72' ' ' VAL . 23.4 m -141.29 157.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -45.59 123.72 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.026 HG13 HD12 ' A' ' 42' ' ' LEU . 54.8 t -134.16 138.92 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.74 131.61 54.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.67 HD11 ' HG ' ' A' ' 64' ' ' LEU . 72.0 mt -118.02 145.17 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 38.9 t -125.31 145.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -104.63 127.95 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.658 ' CG ' HD11 ' A' ' 45' ' ' LEU . 16.0 mt-10 -48.92 -37.29 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -50.79 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.3 65.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 mt -66.19 -175.52 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -111.22 166.74 10.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.03 -44.43 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -78.24 -26.02 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.9 mt -83.51 -45.79 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HG2' HD11 ' A' ' 89' ' ' LEU . 20.5 ttt-85 -52.92 -50.81 63.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.14 -41.11 71.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -36.78 69.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 84' ' ' LEU . 60.5 t -65.0 -50.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.537 HD11 ' HG2' ' A' ' 85' ' ' ARG . 6.3 mt -56.8 -25.92 56.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -71.07 -23.18 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.818 ' O ' HG23 ' A' ' 93' ' ' ILE . 11.0 mm-40 -107.48 -44.8 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.04 135.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 91' ' ' GLU . 9.8 pt -135.28 147.87 63.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.89 23.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.879 ' C ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 52.0 p -99.81 83.11 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -145.85 18.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.591 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -60.54 113.64 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -121.75 152.9 38.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.81 -47.15 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.13 -45.28 71.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 1.2 m -71.79 -31.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -52.54 -40.25 62.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.94 70.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.28 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HD2' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.33 -36.69 71.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.41 -37.22 72.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.38 -46.89 87.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.77 70.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.844 HG13 HD22 ' A' ' 64' ' ' LEU . 24.4 t -66.93 -37.15 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.999 ' HG ' HD12 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -59.12 -43.41 91.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -33.16 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.898 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -75.29 -38.89 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.898 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.17 -42.46 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.3 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.28 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -73.0 -26.51 61.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.854 ' HB3' HD22 ' A' ' 60' ' ' LEU . 6.3 m-70 -81.97 5.12 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.97 -25.18 24.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.758 ' HB3' ' C ' ' A' ' 17' ' ' CYS . . . -43.67 158.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -147.03 -49.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.701 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 2.8 mmt85 -110.48 65.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.983 ' HA ' HG12 ' A' ' 46' ' ' VAL . 24.1 t -70.75 125.91 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 mtt180 -151.97 155.32 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG23 HD23 ' A' ' 44' ' ' LEU . 5.3 p -116.86 119.56 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.707 ' CD2' HG13 ' A' ' 88' ' ' VAL . 15.4 p90 -122.9 148.01 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -157.91 16.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 36' ' ' ALA . 44.2 t -58.77 -38.26 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -58.7 -29.99 67.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -89.63 -13.77 36.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.14 37.9 3.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -129.35 125.81 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.814 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -174.97 -165.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 174.68 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -18.15 41.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -110.29 62.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.05 -174.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.73 163.64 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' HG21 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -113.84 118.97 35.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 3.0 m-20 -79.93 112.94 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD23 HG23 ' A' ' 27' ' ' VAL . 15.5 mt -118.87 124.85 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 77' ' ' GLU . 22.3 tp -96.18 116.36 28.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.983 HG12 ' HA ' ' A' ' 25' ' ' VAL . 9.3 m -133.76 159.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -128.12 121.34 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 71.1 m-85 -92.25 128.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.13 -164.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -92.72 127.43 38.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -23.31 9.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -77.02 148.12 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.1 p -129.74 172.71 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -31.21 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -55.21 -44.06 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -68.81 -36.64 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 13.3 m170 -58.59 -45.67 88.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.64 84.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -69.67 -35.04 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.854 HD22 ' HB3' ' A' ' 20' ' ' HIS . 5.1 tp -70.25 -48.07 58.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.87 -49.06 77.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.779 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.61 -33.71 76.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.554 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -68.35 -35.88 78.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.844 HD22 HG13 ' A' ' 13' ' ' VAL . 2.8 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 39.1 mt-10 -67.79 -30.09 69.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.51 -51.22 17.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.558 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.64 -46.34 79.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.6 mp -82.61 -1.85 52.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 37.35 30.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 68' ' ' LEU . 24.3 m -157.13 158.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -45.47 138.16 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 70' ' ' VAL . 53.7 t -133.2 135.7 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.73 112.74 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.523 HG23 HG21 ' A' ' 46' ' ' VAL . 87.0 mt -101.73 144.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.463 HG11 HD21 ' A' ' 80' ' ' LEU . 1.3 t -130.12 142.44 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 90.8 p -111.33 126.14 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.697 ' HG2' HD11 ' A' ' 45' ' ' LEU . 2.5 mt-10 -40.59 -51.32 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -38.27 6.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -75.82 -38.29 36.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.739 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -61.42 138.41 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.727 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -68.14 167.05 19.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.02 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -76.61 -26.44 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.983 ' O ' HG23 ' A' ' 88' ' ' VAL . 17.5 mt -81.86 -34.11 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 23.3 ttm180 -54.37 -50.54 67.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.71 -42.67 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.31 -36.51 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 84' ' ' LEU . 65.3 t -65.62 -49.72 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.687 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 17.4 mt -56.36 -37.42 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -53.55 -23.8 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.8 mm-40 -113.87 -29.89 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -54.56 121.07 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.645 HG23 ' O ' ' A' ' 91' ' ' GLU . 38.6 pt -125.19 147.44 57.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 116.77 4.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.999 HD12 ' HG ' ' A' ' 14' ' ' LEU . 2.4 tm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.1 m -101.01 100.15 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -171.6 113.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.808 ' HE3' HD22 ' A' ' 68' ' ' LEU . 10.6 ptm -136.88 176.57 8.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 171.62 -179.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.8 mm? -61.2 -45.3 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.63 -46.11 77.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.79 -34.02 71.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.55 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.28 -44.94 84.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -64.54 -33.87 76.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -51.24 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.682 ' CZ ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.1 -32.7 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.85 ' NH2' HG22 ' A' ' 27' ' ' VAL . 11.4 mmt180 -58.58 -33.14 69.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.27 -48.37 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.39 64.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.895 HG23 HD22 ' A' ' 67' ' ' LEU . 12.0 t -67.85 -35.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.798 HD11 HG11 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -59.22 -44.94 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -33.79 70.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.8 -39.02 57.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.899 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -55.66 -43.85 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.89 72.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -19.87 63.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.967 ' HB2' HD22 ' A' ' 60' ' ' LEU . 68.7 m80 -102.84 1.15 33.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 101.6 -24.61 30.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -50.07 129.96 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -133.36 -50.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 22.3 mmt180 -77.23 63.53 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.798 HG11 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -67.75 112.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.721 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -151.66 153.32 34.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.85 HG22 ' NH2' ' A' ' 10' ' ' ARG . 1.5 t -107.86 122.32 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.2 p90 -123.11 135.44 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.13 -159.82 14.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -30.51 64.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.723 HG11 ' HA ' ' A' ' 42' ' ' LEU . 30.1 m -57.82 -48.93 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -53.21 -35.71 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 9.5 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.62 50.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 12.3 mt-10 -130.43 126.51 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 171.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.41 -2.56 49.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -122.47 27.57 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -120.83 166.48 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.53 179.81 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.723 ' HA ' HG11 ' A' ' 31' ' ' VAL . 68.7 tp -115.73 110.01 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.87 119.04 27.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.785 ' CD2' HG13 ' A' ' 27' ' ' VAL . 91.9 mt -125.69 129.44 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.952 HD23 ' HB2' ' A' ' 92' ' ' ALA . 18.3 tp -102.0 113.61 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -136.32 150.52 27.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -129.51 123.76 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.841 ' HE2' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.48 144.18 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 5.7 pt-20 -84.92 -151.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 51' ' ' GLY . 4.4 tt0 -85.08 158.99 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 50' ' ' GLU . . . 94.51 -32.15 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.484 ' HG2' ' CB ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -76.08 157.63 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 p -135.3 175.0 9.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -34.74 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.01 -42.99 73.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.25 -36.42 81.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 9.7 m-70 -59.05 -52.45 65.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.74 -39.89 80.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.6 mmt85 -62.88 -43.54 98.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.967 HD22 ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -58.34 -37.92 76.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 74' ' ' ILE . 2.4 tptm -66.1 -51.99 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.812 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.56 -47.54 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.879 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -60.29 -40.76 91.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 69' ' ' GLY . 63.7 mt-10 -72.57 -27.36 62.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.57 35.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.895 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.28 -46.39 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.76 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.881 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.2 mt -87.31 -8.19 56.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.37 20.77 2.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 68' ' ' LEU . 12.2 m -130.42 178.62 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -76.35 128.47 34.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.4 t -133.82 145.0 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -115.17 113.99 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.879 HD11 ' HG ' ' A' ' 64' ' ' LEU . 20.8 mt -103.13 145.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -131.64 145.75 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 p -107.87 120.89 43.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' CG ' HD11 ' A' ' 45' ' ' LEU . 22.5 mt-10 -42.32 -37.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -54.63 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.14 91.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.046 HD12 HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -56.39 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.858 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -45.15 161.74 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 -43.08 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -75.73 -27.23 58.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 88' ' ' VAL . 18.9 mt -82.84 -33.08 27.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 47.2 ttp180 -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.72 -41.96 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.56 -36.35 68.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.046 HG21 HD12 ' A' ' 80' ' ' LEU . 47.0 t -69.97 -45.87 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.502 HD23 HD21 ' A' ' 45' ' ' LEU . 93.6 mt -56.18 -49.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -22.88 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 93' ' ' ILE . 1.7 mm-40 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.952 ' HB2' HD23 ' A' ' 45' ' ' LEU . . . -48.06 144.82 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.598 HG23 ' O ' ' A' ' 91' ' ' GLU . 34.6 pt -138.16 132.29 16.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.4 Cg_endo -74.99 128.89 11.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.784 HD13 ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 6.7 m -66.7 171.05 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -150.73 -174.98 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.516 ' CE ' HD22 ' A' ' 68' ' ' LEU . 1.1 ttm 64.12 144.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -154.88 159.26 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 4.2 mm? -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -64.63 -38.39 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -41.96 92.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 mt -57.02 -43.27 81.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -63.07 -40.47 97.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -51.38 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 1.016 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.45 -29.35 67.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.683 HH22 HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -56.47 -42.75 78.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -48.39 81.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.99 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.016 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 31.4 t -65.04 -42.57 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -57.63 -43.54 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -38.72 91.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.936 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.62 -38.94 53.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.936 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.1 m -57.63 -42.28 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -27.03 60.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.758 ' CB ' HD22 ' A' ' 60' ' ' LEU . 71.0 m80 -97.42 6.01 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.674 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 80.59 74.6 1.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.809 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -156.76 89.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 m -89.87 -34.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.28 54.25 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.693 ' HA ' HG12 ' A' ' 46' ' ' VAL . 22.0 t -71.11 74.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.53 155.12 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG11 HH22 ' A' ' 10' ' ' ARG . 1.5 p -107.23 117.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.6 p90 -122.97 147.83 46.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 111.5 -170.88 13.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -35.65 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.853 HG11 HD22 ' A' ' 42' ' ' LEU . 9.2 m -59.02 -35.09 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -60.07 -36.33 77.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.25 9.2 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.65 12.08 84.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.37 125.51 35.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.39 148.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -125.85 -175.58 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.81 -1.31 30.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.38 42.97 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p -126.36 176.54 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.26 174.48 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.853 HD22 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -114.91 121.04 41.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' H ' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.07 114.05 28.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.794 ' HG ' HD12 ' A' ' 42' ' ' LEU . 15.1 mt -131.37 127.65 38.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 HD12 ' A' ' 80' ' ' LEU . 18.9 tp -97.89 121.85 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -130.63 158.88 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.5 124.32 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.824 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 31.2 m-85 -92.87 117.3 29.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.8 pt-20 -93.96 -157.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 6.0 tt0 38.87 -147.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.53 90.43 0.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.816 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.6 160.12 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.1 p -129.49 173.95 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -60.74 -28.04 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -45.09 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -37.78 72.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.824 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -60.43 -50.22 74.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.645 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.44 82.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.666 ' HA ' HD23 ' A' ' 62' ' ' LEU . 3.0 mmt180 -68.54 -37.78 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.758 HD22 ' CB ' ' A' ' 20' ' ' HIS . 3.2 tp -58.27 -50.19 74.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.49 -44.51 89.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -65.83 -31.98 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -73.84 -43.1 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 74' ' ' ILE . 1.1 mt -65.08 -40.0 94.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.4 mt-10 -68.96 -26.86 65.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -45.06 45.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -63.6 -46.38 86.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.995 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.1 mt -90.33 1.87 56.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 38.72 29.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.995 HG13 ' O ' ' A' ' 68' ' ' LEU . 22.2 m -132.84 -171.5 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -90.18 128.73 36.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.91 143.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -118.75 111.44 18.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.616 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 6.2 mt -96.14 143.83 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -127.45 146.41 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' GLY . 3.8 p -107.17 123.04 47.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.51 ' HG3' HD11 ' A' ' 45' ' ' LEU . 13.6 mt-10 -41.43 -51.97 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.21 65.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.64 -28.51 65.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.662 HD12 HD13 ' A' ' 45' ' ' LEU . 3.1 mt -62.81 -176.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -108.59 166.45 10.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.0 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -78.61 -25.7 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.994 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -82.94 -48.13 11.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -52.64 -51.22 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 89' ' ' LEU . 3.1 mt-10 -54.32 -43.1 70.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.69 -36.91 67.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 84' ' ' LEU . 96.3 t -59.93 -39.4 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 86' ' ' GLU . 34.6 mt -56.03 -45.32 79.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -53.92 -23.99 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 93' ' ' ILE . 23.6 mm-40 -100.95 -49.05 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.15 137.42 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 91' ' ' GLU . 37.7 pt -134.26 131.35 20.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . 0.453 ' H2 ' ' CD2' ' A' ' 0' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.6 m -72.47 95.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.453 ' CD2' ' H2 ' ' A' ' -2' ' ' GLY . 7.5 p80 -164.4 112.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.874 ' CE ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 170.76 122.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.706 ' O ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-20 -138.26 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 4.5 mm? -70.25 -46.47 64.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.37 -46.02 78.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.573 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.4 m -61.45 -32.49 72.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.874 HD11 ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.22 -47.78 82.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.2 mmt85 -56.17 -31.93 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.63 -55.08 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.844 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -77.81 -31.03 51.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.794 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.93 -30.14 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.82 -48.18 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.18 65.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.2 t -65.36 -40.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.92 -43.01 85.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -37.1 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.05 -36.57 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.873 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -56.3 -42.57 77.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.29 -33.17 71.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -65.33 -19.44 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 39.0 m80 -93.55 -31.98 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.67 -14.67 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 107.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.09 -43.38 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -86.56 81.23 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.68 HG11 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -91.18 113.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.676 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -151.53 152.33 32.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 32' ' ' ALA . 21.0 t -103.98 122.07 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CG ' HG13 ' A' ' 88' ' ' VAL . 2.8 p90 -124.91 133.41 53.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.32 -157.77 16.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -29.74 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.893 HG11 HD13 ' A' ' 42' ' ' LEU . 29.0 t -57.42 -48.61 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.776 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -61.0 -31.77 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -80.87 -14.57 57.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.99 43.3 2.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.8 mm-40 -137.39 127.4 25.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 175.45 125.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -175.08 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.3 -0.73 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -113.97 10.12 17.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -122.94 168.61 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.35 175.93 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.893 HD13 HG11 ' A' ' 31' ' ' VAL . 12.3 tp -110.37 111.91 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 16.4 m-20 -86.38 115.18 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.737 HD11 HD21 ' A' ' 42' ' ' LEU . 85.1 mt -133.55 126.85 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -103.74 113.55 27.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.624 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.71 158.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -125.15 122.09 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 92.1 m-85 -92.55 122.03 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.21 -168.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 42.15 -154.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.75 65.53 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -78.4 137.85 38.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -104.43 170.96 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -42.75 74.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -70.15 -37.0 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 15.0 m170 -60.37 -48.95 79.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.43 75.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -63.02 -39.04 93.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.818 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -74.29 -41.45 61.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.88 -39.77 94.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -73.05 -34.63 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.96 -36.06 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.693 HD22 HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -70.0 -37.33 75.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 10.8 mt-10 -66.17 -32.53 74.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.47 -49.5 19.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.752 HD23 HG22 ' A' ' 13' ' ' VAL . 3.3 mp -64.54 -44.79 89.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.732 HD11 HH21 ' A' ' 10' ' ' ARG . 6.0 mt -82.02 -14.21 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.78 20.22 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 72' ' ' VAL . 20.7 m -142.96 161.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -51.79 132.69 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 70' ' ' VAL . 78.8 t -133.6 136.4 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -112.39 114.09 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.595 HG23 ' CG2' ' A' ' 46' ' ' VAL . 4.3 mt -106.43 143.32 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.48 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 42.9 t -131.17 145.05 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -108.22 121.8 45.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CG ' HD21 ' A' ' 45' ' ' LEU . 20.1 mt-10 -40.42 -29.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' SER . 7.0 ttt180 -68.6 -54.77 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.69 -18.37 63.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.48 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -67.39 -175.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -118.48 172.16 4.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.98 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -25.0 45.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.011 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.3 mp -82.99 -48.22 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG2' HD11 ' A' ' 89' ' ' LEU . 13.4 ttp180 -52.7 -50.5 63.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.35 -42.86 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.4 -37.33 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 84' ' ' LEU . 59.0 t -63.06 -49.09 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -56.14 -37.45 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -22.96 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 93' ' ' ILE . 8.8 mm-40 -109.38 -42.05 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.676 ' HB1' ' HB3' ' A' ' 26' ' ' ARG . . . -39.06 115.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.905 HG23 ' O ' ' A' ' 91' ' ' GLU . 3.1 pt -117.95 129.33 25.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.792 HD13 ' HG2' ' A' ' 10' ' ' ARG . 1.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 3.2 m -180.0 120.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' -1' ' ' SER . 0.8 OUTLIER 163.41 140.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.732 ' HE1' HD11 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -178.19 99.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.628 ' O ' HD22 ' A' ' 6' ' ' LEU . 30.4 t0 -118.51 169.49 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.806 HD11 ' HA2' ' A' ' 34' ' ' GLY . 2.0 mm? -63.57 -46.53 85.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -36.8 63.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 m -79.01 -31.95 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.732 HD11 ' HE1' ' A' ' 1' ' ' MET . 0.3 OUTLIER -56.25 -55.06 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 1.3 ptm180 -68.86 -29.33 67.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 5' ' ' THR . . . -68.21 -49.01 63.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.825 ' HE ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.42 -31.99 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.694 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.35 -31.23 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.08 -48.34 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -73.84 -36.2 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.013 HG23 HD22 ' A' ' 67' ' ' LEU . 3.3 t -67.89 -34.71 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -61.87 -40.96 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -44.82 96.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.3 pp -75.19 -30.01 60.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.572 ' SG ' HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -71.11 -33.03 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.62 -40.93 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 63.0 m80 -75.25 -33.32 61.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.18 54.13 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -124.43 133.15 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.765 ' CG2' ' HB3' ' A' ' 47' ' ' ALA . 5.6 m -120.45 -158.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 5.8 mmt85 37.37 31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.623 HG21 ' CD1' ' A' ' 14' ' ' LEU . 3.4 m -49.14 103.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 1.5 mtt-85 -152.46 155.55 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.12 122.93 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' CG ' HG22 ' A' ' 88' ' ' VAL . 4.6 p90 -123.0 147.88 46.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 110.83 -169.8 13.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -37.44 80.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 36' ' ' ALA . 4.4 m -59.25 -34.16 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -58.76 -42.42 88.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -1.44 37.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.806 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 85.48 37.68 9.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.6 mm-40 -119.93 125.68 49.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . 173.73 122.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.39 -174.98 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.26 -2.35 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -130.61 23.13 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.42 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 2.4 t -98.56 155.61 17.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -95.24 165.97 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.064 HD12 HG13 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -114.09 131.41 56.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' HD22 ' A' ' 42' ' ' LEU . 13.8 m-20 -108.68 118.95 38.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.813 HD13 HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -130.45 125.9 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD11 ' HG3' ' A' ' 77' ' ' GLU . 1.2 tp -100.15 114.88 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.612 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.56 130.94 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.765 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -95.67 123.14 39.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.646 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 54.1 m-85 -92.27 117.72 30.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.18 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -82.04 144.64 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.09 -24.31 30.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 52' ' ' ARG . 15.0 mmt180 -76.76 141.22 40.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.7 p -129.27 173.29 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -54.97 -32.27 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -43.12 72.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.85 -36.83 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.646 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -59.31 -52.07 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.41 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HA ' HD23 ' A' ' 62' ' ' LEU . 11.5 mmt85 -63.56 -36.74 84.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -75.9 -46.02 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.94 -40.97 81.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.518 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -73.8 -37.11 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.92 79.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD21 HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -70.84 -37.09 73.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 72' ' ' VAL . 45.1 mt-10 -69.52 -27.09 64.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.89 -44.28 47.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.013 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.7 -45.31 90.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.825 HD11 ' HE ' ' A' ' 9' ' ' ARG . 4.2 mt -83.22 -14.59 52.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 53.88 17.6 7.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.616 HG21 ' SD ' ' A' ' 1' ' ' MET . 16.3 m -135.99 176.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.79 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.04 133.14 50.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.064 HG13 HD12 ' A' ' 42' ' ' LEU . 38.5 t -133.68 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 110.88 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.612 HG23 ' CG2' ' A' ' 46' ' ' VAL . 42.3 mt -99.84 142.19 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 18.5 t -126.59 145.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 2.3 p -106.34 122.04 45.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' HG3' HD11 ' A' ' 45' ' ' LEU . 9.4 mt-10 -43.98 -34.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -68.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.71 -22.1 8.01 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 45' ' ' LEU . 3.4 mt -60.54 -175.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -111.16 168.55 7.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 -45.16 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -79.02 -24.65 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -83.64 -43.29 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.509 ' O ' HG12 ' A' ' 88' ' ' VAL . 57.5 ttt180 -54.99 -50.04 69.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -63.37 -37.64 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -72.57 -40.25 66.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.54 HG22 ' CG ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.39 -48.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 2.4 mt -53.44 -51.4 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -52.6 -23.97 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.4 mm-40 -96.7 -31.68 12.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -58.37 132.29 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pt -119.37 147.55 43.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.01 138.5 23.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.774 ' C ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.3 m -67.13 84.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.08 30.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' CE ' ' HE ' ' A' ' 9' ' ' ARG . 84.9 mmm -61.77 -171.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.893 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 m-20 -165.76 156.9 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 4.2 mm? -62.04 -45.73 92.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -67.01 -39.52 87.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -55.83 -36.13 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -73.39 -39.05 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -51.6 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.696 ' NH1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.31 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.993 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.88 -39.98 93.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.28 -48.14 82.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.554 HG21 HD11 ' A' ' 68' ' ' LEU . 3.8 t -63.92 -35.17 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.91 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -63.61 -44.1 94.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -35.66 72.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.064 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -75.52 -43.93 46.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.012 ' N ' HD23 ' A' ' 16' ' ' LEU . 3.7 m -58.72 -41.56 86.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.0 74.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.36 63.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.57 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 30.5 m-70 -92.33 -6.14 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.89 -22.19 21.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -46.07 118.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 47' ' ' ALA . 1.3 m -113.51 -37.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.65 52.8 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.751 HG11 HD13 ' A' ' 14' ' ' LEU . 14.2 p -67.94 107.15 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -152.36 156.4 39.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.598 ' C ' ' HB2' ' A' ' 32' ' ' ALA . 2.4 t -102.12 118.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 2.6 p90 -122.86 134.3 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.91 -157.75 14.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -31.62 65.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' A' ' 42' ' ' LEU . 30.6 m -58.74 -48.39 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.598 ' HB2' ' C ' ' A' ' 27' ' ' VAL . . . -53.61 -33.09 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 9.49 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.76 42.67 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.97 129.99 24.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.654 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -160.31 94.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.99 158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.94 -4.11 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.315 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.5 6.23 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -106.28 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . 6.0 m-20 -109.87 -174.21 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.72 ' HA ' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -112.05 123.4 50.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -97.84 131.07 44.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.701 HD11 HD21 ' A' ' 42' ' ' LEU . 85.6 mt -135.22 126.54 28.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 77' ' ' GLU . 7.2 tp -96.71 113.55 25.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.738 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -136.74 153.75 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.82 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -127.92 121.02 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.867 ' HE2' HD12 ' A' ' 60' ' ' LEU . 22.1 m-85 -91.25 132.84 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 pp20? -100.23 162.99 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -36.81 133.04 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.76 -1.1 12.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -133.04 161.25 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 p -136.24 175.84 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -26.98 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -43.87 95.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.717 ' NE2' ' CD1' ' A' ' 48' ' ' PHE . 6.5 m170 -56.85 -52.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -68.55 -41.55 79.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.99 -43.85 97.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.867 HD12 ' HE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.62 -38.11 74.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.976 ' HG3' HD23 ' A' ' 62' ' ' LEU . 2.5 tptm -59.92 -52.24 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.976 HD23 ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -57.73 -40.77 80.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.064 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -58.93 -35.96 73.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.635 ' HG ' HD11 ' A' ' 74' ' ' ILE . 2.9 mt -72.11 -46.18 57.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 36.2 mt-10 -57.05 -26.87 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 -51.32 8.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.05 -42.91 62.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 70' ' ' VAL . 9.0 mp -79.43 -10.86 59.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' C ' HG13 ' A' ' 70' ' ' VAL . . . 43.5 23.89 0.35 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 68' ' ' LEU . 15.7 m -155.37 154.86 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -40.67 135.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.697 HG13 HD23 ' A' ' 42' ' ' LEU . 3.7 t -133.76 139.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -120.96 110.59 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.848 HD13 HD13 ' A' ' 60' ' ' LEU . 64.3 mt -96.59 144.77 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG11 HD21 ' A' ' 80' ' ' LEU . 2.4 t -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' GLY . 24.3 p -112.36 122.05 46.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.78 ' HG2' HD11 ' A' ' 45' ' ' LEU . 2.3 mt-10 -42.2 -43.23 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.11 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.45 -38.92 51.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.834 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -58.12 144.69 39.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -74.05 166.19 46.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -77.33 -25.35 51.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.046 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -82.96 -34.19 26.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.535 ' HE ' HD11 ' A' ' 89' ' ' LEU . 20.3 ttt180 -53.24 -50.24 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 89' ' ' LEU . 24.4 mm-40 -54.62 -41.46 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -72.16 -36.74 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 84' ' ' LEU . 40.7 t -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.535 HD11 ' HE ' ' A' ' 85' ' ' ARG . 16.2 mt -56.43 -44.21 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -53.59 -23.95 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.4 mm-40 -102.99 -38.15 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -53.0 123.73 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -121.98 125.83 26.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.993 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 0.6 OUTLIER -72.69 108.04 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' -1' ' ' SER . 11.4 m80 -160.14 110.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.542 ' CE ' HD11 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -142.81 87.36 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.588 ' O ' HD13 ' A' ' 6' ' ' LEU . 2.4 m-20 -123.06 166.29 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -65.11 -47.69 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.7 -44.33 90.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.55 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -69.87 -32.86 71.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.438 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -58.28 -42.35 86.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HA ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.01 -28.65 62.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.5 -56.17 25.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.686 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -78.28 -31.73 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.686 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.55 -34.1 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 -45.11 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.997 HG13 HD22 ' A' ' 64' ' ' LEU . 73.0 t -55.68 -45.28 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 95' ' ' LEU . 6.9 mt -58.2 -43.85 87.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -36.76 85.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.96 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.814 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -54.45 -41.75 69.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.323 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -20.02 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.777 ' CB ' HD22 ' A' ' 60' ' ' LEU . 65.4 m80 -93.63 -8.96 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.651 ' O ' HG13 ' A' ' 23' ' ' VAL . . . 112.64 -19.43 21.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -56.1 111.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 47' ' ' ALA . 18.0 m -103.5 -53.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.59 72.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.713 ' HB ' HD22 ' A' ' 14' ' ' LEU . 19.7 m -73.66 99.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.57 155.93 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 44' ' ' LEU . 2.0 t -108.3 123.78 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.0 p90 -125.11 135.12 52.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.87 -156.88 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -30.31 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.861 HG11 ' CD2' ' A' ' 42' ' ' LEU . 74.2 t -57.03 -49.2 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.002 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -57.49 -32.93 67.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -10.29 59.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.04 9.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.3 mm-40 -124.66 125.87 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 170.08 93.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -175.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.9 1.72 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.39 -1.99 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.7 t -90.38 170.83 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.17 173.2 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.861 ' CD2' HG11 ' A' ' 31' ' ' VAL . 1.8 tm? -115.16 115.47 26.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 m-20 -98.24 117.26 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.699 HD12 HG13 ' A' ' 27' ' ' VAL . 1.1 tp -129.51 125.76 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -100.43 111.78 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' HD22 ' A' ' 45' ' ' LEU . 1.1 m -129.99 159.52 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.772 ' HB3' HG22 ' A' ' 23' ' ' VAL . . . -117.99 125.45 50.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.637 ' CD2' ' NE2' ' A' ' 57' ' ' HIS . 38.6 m-85 -92.29 117.76 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.582 ' CD ' HG11 ' A' ' 23' ' ' VAL . 6.2 mm-40 -44.76 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.03 111.36 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.83 -11.65 5.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.88 136.95 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -105.8 164.39 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -57.68 -27.76 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -42.86 79.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 m-20 -70.27 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.666 ' HB2' HD13 ' A' ' 54' ' ' LEU . 11.9 m170 -59.23 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.34 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HA ' HD23 ' A' ' 62' ' ' LEU . 6.9 mmt180 -66.22 -38.55 88.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.777 HD22 ' CB ' ' A' ' 20' ' ' HIS . 8.6 tp -61.87 -51.45 68.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.51 -48.06 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.18 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -73.52 -41.72 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.997 HD22 HG13 ' A' ' 13' ' ' VAL . 4.1 mt -70.92 -35.39 72.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' GLY . 46.3 mt-10 -66.26 -26.26 67.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.32 -51.02 18.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -65.92 -42.35 90.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.727 HD13 HG21 ' A' ' 72' ' ' VAL . 1.6 mt -81.42 -15.46 55.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.82 21.69 2.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 72' ' ' VAL . 21.2 m -145.06 150.87 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -39.78 127.81 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 70' ' ' VAL . 39.3 t -133.5 132.51 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -113.44 133.5 55.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.557 HD11 HD12 ' A' ' 64' ' ' LEU . 57.5 mt -120.52 143.01 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 25.4 t -120.44 141.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 85.0 p -106.5 120.7 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' HD21 ' A' ' 45' ' ' LEU . 7.5 mt-10 -40.6 -38.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -62.16 -51.28 68.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 -19.19 67.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 80' ' ' LEU . 4.5 mt -67.85 173.53 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -105.32 168.43 8.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 -45.29 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.85 -25.57 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 44.0 mt -83.41 -44.95 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 46.0 ttt180 -52.26 -50.61 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.38 -40.91 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -72.05 -36.22 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.527 HG13 ' CG ' ' A' ' 28' ' ' PHE . 41.7 t -62.93 -46.09 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.45 -43.07 75.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -54.0 -23.66 14.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.959 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.9 mm-40 -104.24 -39.62 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.47 127.57 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.002 HG12 ' HB1' ' A' ' 32' ' ' ALA . 1.8 pp -134.74 148.17 66.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 140.89 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.544 ' SD ' HD21 ' A' ' 6' ' ' LEU . 1.6 ttm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.509 0.195 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' HD22 ' A' ' 6' ' ' LEU . 21.1 m-20 -128.75 152.55 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.676 HD21 ' HA2' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -56.17 -46.2 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.63 -37.64 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 m -78.71 -33.38 46.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.544 HD21 ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -54.67 -39.84 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -31.92 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -60.61 -52.6 64.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -76.0 -33.73 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.955 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.84 -33.73 67.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -47.7 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.48 -39.85 67.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 9' ' ' ARG . 52.4 t -59.47 -37.45 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.955 HD12 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.24 -42.22 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -43.94 97.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.698 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.3 pp -75.35 -35.49 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.742 ' SG ' HD11 ' A' ' 60' ' ' LEU . 1.4 m -59.08 -40.91 86.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.523 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 77.6 m-70 -67.71 -36.59 80.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.17 57.01 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -131.31 108.12 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 24' ' ' ARG . 18.0 m -93.18 -53.41 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.544 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -74.38 62.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG11 ' HG ' ' A' ' 14' ' ' LEU . 3.4 t -82.63 93.61 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' CB ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -142.91 156.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 t -101.48 125.26 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.631 ' CG ' HG13 ' A' ' 88' ' ' VAL . 2.8 p90 -125.23 134.51 52.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.96 -158.58 17.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -30.04 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.895 HG11 ' CD1' ' A' ' 42' ' ' LEU . 77.6 t -57.86 -49.37 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.72 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -9.25 59.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.676 ' HA2' HD21 ' A' ' 3' ' ' LEU . . . 91.35 39.71 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.8 mm-40 -134.01 126.39 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 169.76 114.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -175.11 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.96 -1.22 30.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -121.23 12.79 11.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.0 t -101.88 165.92 10.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 167.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.895 ' CD1' HG11 ' A' ' 31' ' ' VAL . 44.0 tp -111.15 110.24 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 70.5 m-20 -90.47 119.23 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.475 HD21 ' NH1' ' A' ' 10' ' ' ARG . 1.1 mp -129.25 125.77 37.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 1.3 tm? -104.8 112.48 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.55 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -123.67 155.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -119.81 120.46 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.776 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 99.1 m-85 -92.61 125.8 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.82 -155.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.49 144.55 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.01 -22.95 35.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -76.83 130.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -118.04 174.06 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.62 -27.81 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -54.2 -43.02 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.81 -36.3 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.776 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.0 m170 -60.41 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -60.22 -41.16 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -63.84 -38.61 91.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.742 HD11 ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -74.89 -42.75 57.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.98 -40.74 96.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -73.7 -37.42 65.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.43 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -67.95 -36.3 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.67 ' CD2' HG13 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -67.48 -46.07 74.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 24.8 mt-10 -64.01 -31.88 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 -50.6 11.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.92 90.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.687 HD21 HH21 ' A' ' 10' ' ' ARG . 7.8 mp -82.55 -13.2 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 51.97 20.05 5.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 72' ' ' VAL . 17.7 m -143.3 153.01 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -46.04 133.23 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 70' ' ' VAL . 72.8 t -133.99 125.75 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -104.79 118.23 36.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.55 HG23 ' CG2' ' A' ' 46' ' ' VAL . 78.8 mt -107.47 144.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 21.8 t -130.31 146.54 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 p -105.39 127.67 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.579 ' OE2' HD21 ' A' ' 89' ' ' LEU . 4.6 mt-10 -47.48 -37.49 11.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -58.88 -73.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.32 -27.93 4.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.7 mt -55.4 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.891 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -111.32 168.36 7.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.95 -44.34 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -78.38 -24.84 46.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.025 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -83.37 -48.28 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 25.9 ttt180 -52.83 -50.8 62.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 89' ' ' LEU . 42.7 mt-10 -55.09 -42.61 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.26 -36.63 69.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 84' ' ' LEU . 60.3 t -61.93 -44.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 86' ' ' GLU . 6.5 mt -56.25 -47.28 78.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -53.69 -23.54 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.9 mm-40 -99.55 -39.08 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 26' ' ' ARG . . . -47.08 127.84 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.72 HG12 ' HB1' ' A' ' 32' ' ' ALA . 1.2 pp -126.07 123.97 24.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.412 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.5 Cg_endo -74.97 115.12 4.19 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 10' ' ' ARG . 1.7 tt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.531 ' CG ' HD21 ' A' ' 6' ' ' LEU . 1.9 ttm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.5 0.191 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 6' ' ' LEU . 63.1 m-20 -98.22 154.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.465 HD11 ' HA3' ' A' ' 34' ' ' GLY . 1.8 mm? -54.27 -46.29 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.72 -38.05 80.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.474 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 2.4 m -76.22 -30.41 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -54.46 -39.53 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -74.31 -41.83 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.29 66.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -33.83 76.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.95 -48.08 80.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.23 -46.49 88.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -70.44 -36.38 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.719 HG21 HD11 ' A' ' 68' ' ' LEU . 11.4 t -66.45 -34.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -65.13 -41.48 94.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -45.65 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.4 pp -73.6 -37.95 65.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.699 ' N ' HD12 ' A' ' 16' ' ' LEU . 1.9 m -58.99 -37.19 76.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.68 78.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.9 -18.49 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.867 ' HB3' HD22 ' A' ' 60' ' ' LEU . 10.1 m-70 -86.61 5.14 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 80.69 56.21 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -134.32 116.57 15.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.92 -39.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 2.2 mmt85 -84.27 53.41 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 HD13 ' A' ' 14' ' ' LEU . 4.3 m -66.19 105.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.68 155.23 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.47 116.58 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CG ' HG13 ' A' ' 88' ' ' VAL . 9.2 p90 -122.96 147.31 46.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.54 -163.8 12.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -33.65 74.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.82 HG22 ' HB2' ' A' ' 36' ' ' ALA . 16.2 t -59.14 -33.71 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.2 -39.21 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -17.85 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA3' HD11 ' A' ' 3' ' ' LEU . . . 102.8 25.28 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 4.1 tp10 -124.68 130.4 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.82 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -175.68 105.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.58 160.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.35 -0.73 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.38 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 176.6 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.65 170.34 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.977 HD11 HD13 ' A' ' 44' ' ' LEU . 1.2 tp -115.48 119.88 37.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.643 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.4 m-20 -86.41 112.57 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.977 HD13 HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -132.04 125.52 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.672 ' CD1' HD12 ' A' ' 80' ' ' LEU . 13.9 tp -102.21 115.78 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.03 159.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -122.79 120.69 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 85.1 m-85 -91.38 132.72 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.27 -172.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -82.15 147.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.09 -6.23 61.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -94.66 159.23 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.0 p -139.47 172.93 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -33.74 68.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -40.57 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -36.84 72.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.643 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 12.5 m170 -58.75 -51.79 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.83 79.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.859 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.4 mtm-85 -63.75 -38.4 90.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.867 HD22 ' HB3' ' A' ' 20' ' ' HIS . 8.0 tp -74.25 -45.27 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -58.02 -38.27 75.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -70.51 -34.89 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.76 74.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD21 HD11 ' A' ' 60' ' ' LEU . 2.5 mt -71.43 -37.8 71.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 12.2 mt-10 -58.86 -33.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.64 -50.57 11.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.51 -45.8 74.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.6 mp -80.85 -6.86 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 38.64 28.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 68' ' ' LEU . 22.0 m -156.43 156.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -38.75 140.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 64' ' ' LEU . 58.7 t -133.74 131.36 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.67 110.66 16.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.532 HG23 ' CG2' ' A' ' 46' ' ' VAL . 27.8 mt -99.95 144.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.474 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 45.6 t -127.3 145.02 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 79' ' ' GLY . 59.5 p -107.86 121.82 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.4 mt-10 -38.31 -46.82 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -48.98 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -64.73 -35.84 92.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD12 ' CD1' ' A' ' 45' ' ' LEU . 4.3 mt -55.73 178.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -113.67 170.96 4.78 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.03 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -25.26 44.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.895 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.8 mp -83.43 -48.69 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.622 ' HD3' HD11 ' A' ' 89' ' ' LEU . 5.2 ttm180 -53.31 -50.78 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 89' ' ' LEU . 20.8 mt-10 -54.96 -42.94 72.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -72.19 -36.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 84' ' ' LEU . 53.6 t -62.76 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.622 HD11 ' HD3' ' A' ' 85' ' ' ARG . 10.2 mt -55.82 -42.43 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -23.86 22.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 93' ' ' ILE . 14.9 mm-40 -102.15 -47.81 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -43.61 141.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 91' ' ' GLU . 48.2 pt -140.8 126.18 11.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.83 ' HE1' HD21 ' A' ' 6' ' ' LEU . 8.8 ptm . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.515 0.198 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.8 m-20 -157.33 157.2 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.702 HD11 ' HA2' ' A' ' 34' ' ' GLY . 3.2 mm? -58.56 -45.45 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.19 -37.33 84.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.83 HD21 ' HE1' ' A' ' 1' ' ' MET . 0.8 OUTLIER -57.69 -40.79 80.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.9 mmt180 -64.16 -41.78 97.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.93 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.74 -30.63 68.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.828 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.95 -45.63 78.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.65 -44.83 85.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 67' ' ' LEU . . . -71.92 -36.15 69.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 68' ' ' LEU . 19.5 t -68.8 -34.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.803 HD13 HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.22 -42.07 89.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -46.03 87.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.3 pp -73.32 -36.25 66.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.66 ' N ' HD12 ' A' ' 16' ' ' LEU . 2.1 m -58.04 -40.61 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.52 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -32.86 63.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.735 ' CB ' HD22 ' A' ' 60' ' ' LEU . 81.8 m-70 -82.12 5.34 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 84.75 69.43 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -140.82 112.38 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -107.41 -40.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -84.84 50.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.803 HG21 HD13 ' A' ' 14' ' ' LEU . 2.8 p -65.99 105.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -152.41 155.38 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG13 HG12 ' A' ' 93' ' ' ILE . 5.6 p -114.8 114.62 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.658 ' HB3' ' HB2' ' A' ' 92' ' ' ALA . 9.0 p90 -121.76 147.92 45.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.41 -171.57 14.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.677 HG11 ' HA ' ' A' ' 42' ' ' LEU . 27.3 m -59.8 -40.13 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.34 -33.47 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -90.04 8.71 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.702 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 73.94 45.98 24.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.591 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 7.3 mm-40 -133.07 126.98 33.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . 170.66 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' ALA . 4.1 ptp180 -52.06 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -10.54 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.19 29.88 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -112.07 166.8 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.67 171.27 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.127 HD11 HD13 ' A' ' 44' ' ' LEU . 1.5 tm? -112.3 120.0 40.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.449 ' N ' HD13 ' A' ' 42' ' ' LEU . 14.4 m-20 -98.11 114.21 26.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.127 HD13 HD11 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -129.61 125.1 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.649 HD11 ' HG2' ' A' ' 77' ' ' GLU . 7.9 tp -100.5 113.34 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.598 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -130.68 159.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.59 121.94 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 71.7 m-85 -92.2 126.55 37.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.59 -174.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.33 150.65 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.94 72.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -95.62 139.49 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -116.09 168.9 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -29.43 63.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.18 -42.26 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.07 -36.96 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.599 ' NE2' ' CG ' ' A' ' 48' ' ' PHE . 23.7 m170 -59.8 -48.12 82.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.4 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.689 ' HA ' HD23 ' A' ' 62' ' ' LEU . 6.3 mtt180 -68.69 -34.91 76.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.735 HD22 ' CB ' ' A' ' 20' ' ' HIS . 1.8 tp -66.66 -46.11 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -64.26 -39.96 95.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -67.34 -36.78 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.06 68.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.621 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -69.16 -48.86 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 57.2 mt-10 -60.49 -27.43 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.8 -52.19 12.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -70.16 -41.71 73.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.872 HD22 HG21 ' A' ' 72' ' ' VAL . 7.5 mp -79.95 -13.12 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 41.73 24.95 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 68' ' ' LEU . 26.0 m -148.29 156.28 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.97 131.86 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.872 HG21 HD22 ' A' ' 68' ' ' LEU . 2.7 t -133.84 136.16 54.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.21 110.8 16.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.598 HG23 ' CG2' ' A' ' 46' ' ' VAL . 61.5 mt -96.16 145.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.496 HG12 HD13 ' A' ' 45' ' ' LEU . 2.1 t -121.76 141.99 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' GLY . 6.0 p -110.63 121.09 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.649 ' HG2' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.74 -46.68 88.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.46 -36.56 54.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.08 139.99 56.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -80.52 172.03 10.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.94 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -26.58 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.018 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.1 mp -81.6 -38.63 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.523 ' HG2' HD11 ' A' ' 89' ' ' LEU . 33.4 ttm180 -53.5 -50.47 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -41.99 72.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -71.8 -36.61 70.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 84' ' ' LEU . 48.7 t -64.52 -48.8 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -57.62 -40.75 79.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -24.16 15.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.6 mm-40 -105.8 -40.65 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -54.46 132.15 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 91' ' ' GLU . 32.9 pt -126.46 133.23 24.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.03 113.72 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.828 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.844 ' HG2' HD11 ' A' ' 6' ' ' LEU . 1.8 ttm . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.505 0.193 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 6' ' ' LEU . 8.2 m-20 -126.34 158.18 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.9 mm? -63.24 -47.18 83.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.56 -41.67 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -74.77 -33.46 62.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 1' ' ' MET . 0.3 OUTLIER -57.28 -35.84 70.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -69.78 -40.11 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.92 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.11 -36.61 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HD3' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -60.68 -44.75 96.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.11 -45.87 89.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.55 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 9' ' ' ARG . 54.6 t -68.05 -36.84 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.46 -42.88 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -34.7 74.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.006 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -75.37 -41.6 56.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.971 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.83 -41.44 86.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.43 77.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -38.78 77.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 11.5 m-70 -67.64 -36.83 81.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.568 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 128.04 41.72 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -114.24 110.83 20.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 24' ' ' ARG . 18.2 m -91.42 -52.96 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.529 ' N ' HG23 ' A' ' 23' ' ' VAL . 8.5 mmt-85 -78.09 85.82 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CB ' HD13 ' A' ' 14' ' ' LEU . 3.4 m -89.73 103.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.54 156.13 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 HD12 ' A' ' 44' ' ' LEU . 2.3 p -122.71 125.16 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.77 ' CG ' HG13 ' A' ' 88' ' ' VAL . 6.1 p90 -123.07 148.59 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.98 -165.19 16.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -69.69 -36.91 76.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 36' ' ' ALA . 90.3 t -58.23 -33.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' HD11 ' A' ' 93' ' ' ILE . . . -53.58 -39.99 65.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -17.96 48.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.89 37.03 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.1 mm-40 -122.61 129.63 52.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 169.69 109.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.76 -0.39 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.65 29.21 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.9 t -103.13 164.81 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -102.13 161.71 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -114.48 119.67 37.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.518 ' N ' HD22 ' A' ' 42' ' ' LEU . 11.8 m-20 -98.63 125.42 43.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.8 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.81 125.41 35.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.691 ' HG ' HG11 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -99.59 112.38 24.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.42 159.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' CD ' ' A' ' 77' ' ' GLU . . . -123.56 120.08 31.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 98.9 m-85 -93.06 129.57 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' CD ' HG11 ' A' ' 23' ' ' VAL . 9.1 mm-40 -53.71 -171.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.77 16.73 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.42 34.1 2.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 29.2 mmt180 -131.12 159.36 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.542 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 56.2 p -128.93 168.97 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -60.87 -32.35 71.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -43.25 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 20' ' ' HIS . 8.7 t0 -70.51 -36.46 73.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 14.1 m170 -58.62 -51.89 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -66.48 -39.77 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -62.58 -34.27 76.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.841 HD11 ' SG ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -71.12 -35.14 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.45 -37.01 84.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -66.61 -30.8 71.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.006 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -72.73 -45.05 60.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.715 HD22 HG13 ' A' ' 13' ' ' VAL . 1.9 mt -64.37 -41.79 96.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 3.2 mt-10 -60.46 -36.26 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.66 -51.07 9.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.414 HD22 ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.45 -45.67 86.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.647 HD11 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -81.52 -13.45 58.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 50.24 20.23 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 68' ' ' LEU . 19.9 m -142.17 164.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -55.01 138.6 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.714 HG13 HD12 ' A' ' 42' ' ' LEU . 81.8 t -133.2 139.48 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -121.8 111.57 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.66 HG23 ' CG2' ' A' ' 46' ' ' VAL . 56.1 mt -101.78 144.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.5 t -135.66 145.42 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 p -107.85 130.02 55.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.523 ' CD ' ' HB2' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -48.3 -41.48 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -23.55 67.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -96.22 -16.18 38.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.6 mt -74.15 -178.8 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -104.8 166.11 12.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 -44.41 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -77.85 -26.59 49.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.784 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -83.79 -40.51 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 16.1 ttt-85 -52.76 -50.11 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.68 -38.39 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.9 -34.94 69.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.77 HG13 ' CG ' ' A' ' 28' ' ' PHE . 97.8 t -71.95 -34.27 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 95.5 mt -64.2 -51.67 62.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 12.9 ptm180 -66.03 -40.54 91.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 93' ' ' ILE . 64.2 mm-40 -70.26 -55.95 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 88' ' ' VAL . . . -39.75 158.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 91' ' ' GLU . 44.4 pt -147.83 133.49 9.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.05 114.42 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD13 ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.521 0.201 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' HD22 ' A' ' 6' ' ' LEU . 6.3 m-20 -107.43 166.3 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.831 HD21 ' HA3' ' A' ' 34' ' ' GLY . 1.9 mp -69.78 -45.22 68.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -43.95 63.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -72.8 -33.15 66.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.83 -34.59 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -72.03 -41.14 67.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -52.09 65.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -65.04 -33.34 75.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.756 HH12 HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.64 -35.22 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.36 -47.84 59.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.79 72.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 9' ' ' ARG . 12.7 t -67.44 -36.54 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.08 -43.42 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.5 t -67.92 -35.53 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.96 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.99 -41.09 52.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.96 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.25 -30.84 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.07 -33.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -18.88 61.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 77.0 m-70 -98.27 -34.57 10.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 123.64 75.81 0.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -145.76 103.24 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -101.98 -36.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 28.6 mmt180 -83.34 49.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 14' ' ' LEU . 3.3 m -66.6 101.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -152.07 155.22 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.756 HG21 HH12 ' A' ' 10' ' ' ARG . 3.1 t -111.55 125.51 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 3.7 p90 -124.45 137.18 54.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.67 -162.2 12.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -31.24 66.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.01 HG12 ' HB2' ' A' ' 36' ' ' ALA . 20.6 m -58.14 -45.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.884 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.12 -32.48 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -18.52 37.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.831 ' HA3' HD21 ' A' ' 3' ' ' LEU . . . 106.99 31.39 3.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -123.35 126.4 46.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 1.01 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -175.64 111.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.81 160.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -80.38 -3.63 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.92 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 -172.93 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.2 167.06 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.836 HD11 HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -108.37 118.38 36.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.712 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.2 m-20 -83.96 122.96 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.836 HD13 HD11 ' A' ' 42' ' ' LEU . 2.6 tp -132.83 125.31 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.863 HD11 ' HG2' ' A' ' 77' ' ' GLU . 10.4 tp -96.13 116.98 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.49 156.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.16 122.31 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 96.2 m-85 -92.85 122.79 35.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.18 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.75 150.35 29.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -34.53 5.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -77.7 158.3 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.539 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 71.7 p -136.41 174.04 11.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.44 66.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -44.31 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -70.14 -37.01 75.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.587 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.2 m170 -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.57 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.629 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -65.86 -36.74 84.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.928 HD21 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.24 -45.69 90.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.76 -44.4 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -65.41 -35.54 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.39 -37.87 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 60' ' ' LEU . 1.7 mt -69.01 -36.72 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' GLY . 33.9 mt-10 -63.92 -29.25 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.74 -50.57 13.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 13' ' ' VAL . 6.7 mt -65.8 -43.25 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 11.2 mt -82.28 -14.77 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.23 18.45 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.496 HG21 ' SD ' ' A' ' 1' ' ' MET . 13.1 m -146.94 164.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -50.3 136.27 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 70' ' ' VAL . 2.5 t -133.6 140.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' LEU . 3.5 t70 -122.17 114.29 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 60.0 mt -102.81 142.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 HG11 HD21 ' A' ' 80' ' ' LEU . 2.5 t -117.09 144.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' ARG . 12.7 p -114.97 120.55 40.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.863 ' HG2' HD11 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -38.4 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.59 -51.79 68.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -66.15 -38.58 94.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -55.64 136.53 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -70.54 165.76 42.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 -25.01 49.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.952 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -82.99 -36.45 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HD3' HD11 ' A' ' 89' ' ' LEU . 7.3 ttm180 -52.75 -50.82 62.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.817 ' HA ' HD12 ' A' ' 89' ' ' LEU . 1.1 tt0 -54.14 -42.87 70.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.35 -36.74 68.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 80' ' ' LEU . 39.6 t -64.85 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 86' ' ' GLU . 8.9 mt -56.2 -45.92 79.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -23.31 9.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 93' ' ' ILE . 18.2 mm-40 -103.8 -26.53 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -59.72 123.42 16.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.884 HG12 ' HB1' ' A' ' 32' ' ' ALA . 2.2 pp -121.0 144.25 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.1 Cg_endo -75.03 145.16 31.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 95' ' ' LEU . 1.9 tm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 1.05 ' CE ' HD11 ' A' ' 6' ' ' LEU . 6.3 ptm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.526 0.203 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.783 ' O ' HD13 ' A' ' 6' ' ' LEU . 6.3 m-20 -164.74 -176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.593 HD21 ' CA ' ' A' ' 34' ' ' GLY . 1.7 mp -69.3 -46.33 67.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -46.31 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.14 -34.39 72.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.05 HD11 ' CE ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -57.48 -39.17 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.36 64.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.49 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.078 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.1 -30.85 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.33 -46.72 76.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.53 -43.8 93.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.52 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.078 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 9.9 t -67.15 -36.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.2 -38.62 91.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.03 -42.9 96.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 64' ' ' LEU . 4.3 pp -75.91 -31.67 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.58 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -56.61 -42.47 78.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.326 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.507 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -69.18 -33.06 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -73.76 -36.92 65.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.909 ' HB2' HD22 ' A' ' 60' ' ' LEU . 96.8 m-70 -84.79 5.34 28.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.49 72.29 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -140.61 108.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.553 HG23 ' N ' ' A' ' 24' ' ' ARG . 17.3 m -97.19 -54.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.553 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -75.87 75.21 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.551 HG11 HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -85.99 112.1 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.77 155.18 37.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.71 114.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.738 ' CD2' HG13 ' A' ' 88' ' ' VAL . 19.6 p90 -122.36 147.99 45.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 119.71 -165.72 13.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.82 70.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.944 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.717 HG21 HD23 ' A' ' 42' ' ' LEU . 36.7 t -62.53 -34.98 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -58.34 -41.35 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -2.21 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.593 ' CA ' HD21 ' A' ' 3' ' ' LEU . . . 83.89 31.94 25.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 3.6 tp10 -125.17 127.8 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -159.86 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.57 -179.93 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.05 -0.68 57.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -106.91 -7.21 17.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -112.76 -179.01 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.6 173.42 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.02 HD12 HG13 ' A' ' 72' ' ' VAL . 1.4 tm? -102.18 123.36 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -102.3 116.85 33.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.969 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.88 126.09 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' CD1' ' A' ' 80' ' ' LEU . 6.9 tp -98.36 115.22 27.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.48 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -127.64 158.16 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -128.13 120.33 27.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.719 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 88.4 m-85 -93.12 124.17 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' OE2' HG11 ' A' ' 23' ' ' VAL . 1.9 mm-40 -61.69 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.71 145.59 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.87 -20.5 46.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HE ' ' N ' ' A' ' 52' ' ' ARG . 2.3 mmp_? -76.7 126.23 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 0.806 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -109.78 174.08 6.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -27.13 58.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -44.52 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -71.21 -36.97 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.719 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 8.5 m170 -65.53 -50.2 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.552 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.14 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.55 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.8 mtm180 -68.93 -35.5 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 20' ' ' HIS . 1.3 tp -66.17 -48.2 71.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -41.98 97.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -71.88 -33.76 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -68.97 -37.53 78.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 16' ' ' LEU . 1.2 mt -70.79 -40.68 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 58.0 mt-10 -71.56 -27.13 62.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.79 -45.51 34.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -63.94 -45.83 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.942 ' O ' HG13 ' A' ' 70' ' ' VAL . 41.6 mt -85.27 -10.09 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.46 19.34 4.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.942 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.4 m -127.86 -171.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HA ' ' OE2' ' A' ' 65' ' ' GLU . 8.4 mmt180 -84.55 132.81 34.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.02 HG13 HD12 ' A' ' 42' ' ' LEU . 51.4 t -133.74 145.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.04 113.29 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.48 HG23 ' CG2' ' A' ' 46' ' ' VAL . 6.9 mt -99.03 144.2 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.505 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.6 t -131.16 145.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 79' ' ' GLY . 62.1 p -109.47 123.91 50.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -42.6 -51.98 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.19 56.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -83.13 -20.17 61.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.658 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.0 mt -70.33 -174.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -113.74 170.25 5.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -78.88 -24.39 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.93 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.4 mp -82.52 -46.93 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 89' ' ' LEU . 20.9 ttm180 -53.1 -50.09 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.75 -41.07 85.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -71.88 -36.59 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.738 HG13 ' CD2' ' A' ' 28' ' ' PHE . 54.3 t -64.0 -50.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 7.1 mt -56.53 -38.42 71.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -26.75 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.7 mm-40 -106.21 -44.28 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.622 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -43.76 140.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 91' ' ' GLU . 30.9 pt -139.57 128.8 13.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.494 HD13 ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.476 0.179 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 9.7 m-20 -103.6 145.78 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.09 -45.9 71.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -56.36 -41.54 76.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -73.48 -31.74 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.579 HD13 ' HD3' ' A' ' 9' ' ' ARG . 1.5 mm? -55.61 -35.7 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -43.45 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.33 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.772 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -34.86 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' O ' HD23 ' A' ' 14' ' ' LEU . 4.4 mtt-85 -66.31 -31.86 72.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -46.77 63.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -36.59 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 9' ' ' ARG . 54.8 t -67.21 -35.04 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.838 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.62 -43.63 97.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -36.55 80.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.895 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.23 -39.52 59.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.895 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.67 -43.05 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.58 70.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -18.87 62.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 1.026 ' HB2' HD22 ' A' ' 60' ' ' LEU . 95.8 m-70 -100.0 6.65 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.627 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 91.08 -14.04 64.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 138.22 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -139.03 -47.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -69.31 58.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.838 HG21 ' CD1' ' A' ' 14' ' ' LEU . 24.7 m -67.58 104.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.62 154.79 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 44' ' ' LEU . 2.0 t -112.28 122.12 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CD1' HG13 ' A' ' 88' ' ' VAL . 4.4 p90 -124.95 134.26 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.39 -160.33 14.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -30.98 64.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.794 HG11 ' HA ' ' A' ' 42' ' ' LEU . 29.5 m -57.26 -48.44 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.27 -35.55 60.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 6.45 24.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.67 48.8 11.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.9 mp0 -131.45 125.0 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 169.34 104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -166.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.17 17.95 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -151.3 22.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 173.56 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.27 151.75 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.794 ' HA ' HG11 ' A' ' 31' ' ' VAL . 51.6 tp -102.23 110.14 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.665 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.2 m-20 -91.4 119.62 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 43' ' ' ASP . 3.6 mp -132.01 125.66 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.627 HD22 HG11 ' A' ' 88' ' ' VAL . 9.7 tp -102.71 112.54 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.733 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -129.72 159.45 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -125.79 128.87 48.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 41.9 m-85 -90.39 115.94 27.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 16.1 pt-20 -79.63 -143.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.2 mt-10 -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.59 38.63 4.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.628 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -132.38 159.28 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 p -141.59 165.12 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -58.26 -42.98 87.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -40.64 71.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -38.22 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.769 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m170 -59.52 -51.23 70.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.59 86.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.481 ' NH1' HD21 ' A' ' 62' ' ' LEU . 13.5 mtt-85 -63.38 -34.2 77.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.026 HD22 ' HB2' ' A' ' 20' ' ' HIS . 3.6 tp -62.4 -37.99 87.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 6.5 tptp -64.71 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.481 HD21 ' NH1' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -65.7 -40.83 92.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.755 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.53 -37.16 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.833 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -70.29 -33.46 71.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 19.0 mt-10 -67.6 -32.21 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.31 -51.22 13.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 13' ' ' VAL . 2.4 mt -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.733 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -82.76 -4.58 58.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.5 ' C ' HG13 ' A' ' 70' ' ' VAL . . . 39.64 28.03 0.12 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 68' ' ' LEU . 22.2 m -156.37 154.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -44.76 136.61 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.716 HG13 HD23 ' A' ' 42' ' ' LEU . 5.8 t -133.32 143.61 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -120.02 110.36 16.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.833 HD11 ' HG ' ' A' ' 64' ' ' LEU . 14.0 mt -104.98 145.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 17.6 t -134.81 144.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 p -104.66 120.87 42.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -41.33 -44.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.7 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.66 -33.52 66.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mt -56.29 172.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.94 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -106.75 170.84 5.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -79.3 -24.62 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -83.45 -49.34 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 17.5 ttm180 -53.88 -50.28 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -54.51 -40.9 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -71.89 -36.63 70.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 84' ' ' LEU . 39.9 t -63.09 -45.71 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 18.4 mt -55.88 -38.86 70.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -25.24 11.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.7 mm-40 -110.18 -29.6 8.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -51.86 124.69 13.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 91' ' ' GLU . 22.6 pt -122.99 142.73 38.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -74.98 134.02 17.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.821 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.475 ' HG3' HD21 ' A' ' 6' ' ' LEU . 5.2 ttm . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.468 0.175 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.532 ' O ' HD22 ' A' ' 6' ' ' LEU . 14.9 m-20 -116.46 160.4 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -47.63 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -54.09 -40.42 67.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.3 m -76.59 -30.86 57.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.548 HD13 ' HD3' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.66 -35.85 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -43.57 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -52.57 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.741 ' NH1' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.17 -32.97 74.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.755 ' NH2' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -60.44 -48.74 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.92 -47.58 85.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -69.78 -36.1 75.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.728 HG23 HD22 ' A' ' 67' ' ' LEU . 16.0 t -68.61 -34.58 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.686 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.97 -42.51 94.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -62.79 -46.22 89.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.2 pp -73.01 -35.44 66.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.633 ' N ' HD12 ' A' ' 16' ' ' LEU . 1.3 m -58.45 -42.07 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.98 84.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -73.71 -18.7 60.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.859 ' HB3' HD22 ' A' ' 60' ' ' LEU . 8.6 m-70 -83.75 -34.61 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.3 -7.96 4.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -80.12 118.53 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.685 HG11 ' CD ' ' A' ' 49' ' ' GLU . 15.4 m -98.63 -49.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 23' ' ' VAL . 8.2 mtt180 -96.07 86.67 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.686 HG11 HD22 ' A' ' 14' ' ' LEU . 1.9 t -92.66 113.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 94' ' ' PRO . 1.1 mtt180 -145.78 155.79 43.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.641 HG11 HG12 ' A' ' 31' ' ' VAL . 2.0 t -102.64 124.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 3.1 p90 -124.11 133.61 53.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.97 -150.64 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -74.03 -31.57 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 42' ' ' LEU . 55.7 t -58.61 -38.87 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.19 -43.32 67.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -79.54 -18.21 52.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.63 4.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 8.1 mt-10 -126.59 131.33 51.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 162.32 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 40' ' ' SER . 9.4 ptp180 -121.98 -177.5 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.55 -7.36 57.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -112.07 15.77 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 41' ' ' ASP . 37.0 t -129.53 11.56 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.7 OUTLIER 52.07 173.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -116.76 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.65 ' N ' HD23 ' A' ' 42' ' ' LEU . 8.6 m-20 -75.95 111.86 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 42' ' ' LEU . 1.1 tp -131.21 125.42 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.615 HD11 ' CG ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -104.14 112.39 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.68 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -131.03 159.83 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.15 120.62 34.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.712 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 91.0 m-85 -91.71 129.75 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.685 ' CD ' HG11 ' A' ' 23' ' ' VAL . 5.1 mm-40 -63.02 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.6 126.42 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.77 -13.24 20.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -76.3 127.06 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -111.9 171.14 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -28.49 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -41.7 98.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.6 -36.95 73.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.712 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 11.9 m170 -61.74 -50.2 73.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.532 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.64 91.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.638 ' HA ' HD23 ' A' ' 62' ' ' LEU . 21.5 mtt-85 -63.49 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 20' ' ' HIS . 3.9 tp -74.79 -43.61 53.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.05 -38.57 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -72.93 -34.44 66.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.63 91.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.958 ' HB2' HG11 ' A' ' 72' ' ' VAL . 2.2 mt -72.66 -29.05 63.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 4.3 mt-10 -66.65 -32.6 74.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.7 10.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.84 -45.84 87.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.741 HD21 ' NH1' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -81.85 -14.54 56.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 49.9 17.68 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 68' ' ' LEU . 14.2 m -138.9 168.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.97 137.25 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.958 HG11 ' HB2' ' A' ' 64' ' ' LEU . 45.6 t -133.74 130.6 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -122.61 109.55 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.68 HG23 ' CG2' ' A' ' 46' ' ' VAL . 31.4 mt -98.35 145.04 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 33.4 t -132.48 138.73 51.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 p -100.06 121.06 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.615 ' CG ' HD11 ' A' ' 45' ' ' LEU . 67.4 mt-10 -41.01 -30.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -53.67 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.44 -24.01 72.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 80' ' ' LEU . 3.8 mt -62.31 -177.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.908 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -109.72 166.56 10.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.94 -45.32 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -79.22 -24.78 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.908 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 29.5 mt -83.46 -48.46 10.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 73.1 ttt180 -51.84 -50.09 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.46 -39.93 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.63 -35.94 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 45' ' ' LEU . 48.3 t -65.75 -43.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 37.0 mt -55.54 -47.03 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -23.76 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.5 mm-40 -100.02 -45.8 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.62 137.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.0 pp -134.86 121.2 14.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.42 ' N ' ' HG2' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.75 ' HE2' HD11 ' A' ' 6' ' ' LEU . 1.1 tpt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.471 0.176 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' HD13 ' A' ' 6' ' ' LEU . 85.8 m-20 -117.98 160.44 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.529 HD11 ' HA2' ' A' ' 34' ' ' GLY . 3.4 mm? -63.61 -46.62 84.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -43.85 72.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.17 -33.38 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -56.6 -38.29 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.439 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 7.7 mmm-85 -70.12 -42.94 71.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.94 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.989 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.1 -37.85 88.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.9 -46.97 87.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.989 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 5.6 t -66.61 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.732 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -62.72 -39.57 94.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -44.2 96.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.1 pp -74.13 -31.76 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.59 ' SG ' HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -57.75 -42.54 84.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.486 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.51 -33.56 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -71.21 -41.13 70.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 74.8 m-70 -67.98 -34.47 76.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 120.97 42.35 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -114.53 117.09 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 24' ' ' ARG . 4.3 m -96.32 -50.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.614 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -82.79 110.23 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.732 HG21 ' CD1' ' A' ' 14' ' ' LEU . 15.8 m -119.75 106.4 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -152.62 154.79 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.578 ' C ' ' HB2' ' A' ' 32' ' ' ALA . 2.2 t -102.08 123.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 2.1 p90 -123.29 133.0 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.72 -160.0 14.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -32.96 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.686 HG11 ' HA ' ' A' ' 42' ' ' LEU . 21.0 m -58.77 -45.8 91.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB2' ' C ' ' A' ' 27' ' ' VAL . . . -56.9 -38.11 72.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.85 0.62 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.529 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 82.78 37.57 13.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.7 mm-40 -123.27 125.62 45.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 162.07 109.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -172.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.56 -5.02 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -124.97 34.34 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.537 ' OG ' ' HB1' ' A' ' 36' ' ' ALA . 90.7 p -117.43 169.48 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.72 163.46 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.75 126.34 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.714 ' N ' HD22 ' A' ' 42' ' ' LEU . 16.3 m-20 -104.7 125.49 50.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.613 ' HG ' HD11 ' A' ' 42' ' ' LEU . 80.3 mt -134.58 125.27 26.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -103.55 112.45 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.569 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.05 159.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -120.73 120.27 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.63 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 71.7 m-85 -93.94 132.34 38.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.39 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.29 16.32 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 28.51 3.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 27.4 mmt180 -125.3 146.86 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 18.4 p -117.0 172.89 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -60.38 -28.16 67.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -44.37 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.45 -36.94 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.63 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 10.5 m170 -59.37 -51.48 69.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -63.35 -38.75 92.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.71 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.46 -47.44 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 72' ' ' VAL . 1.2 tptm -57.31 -51.85 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.758 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.83 -36.02 82.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 59' ' ' ARG . . . -64.23 -39.79 94.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD21 ' CD2' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -72.21 -29.2 63.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.3 mt-10 -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -44.45 38.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.958 HD22 HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -64.37 -46.38 83.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 72' ' ' VAL . 3.4 mt -83.29 -14.56 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.04 20.11 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 68' ' ' LEU . 21.0 m -141.75 149.76 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -40.14 135.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG13 HD12 ' A' ' 42' ' ' LEU . 2.4 t -133.25 143.19 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 111.87 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.453 HG23 ' CG2' ' A' ' 46' ' ' VAL . 23.2 mt -102.22 137.31 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.493 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.3 t -120.1 145.54 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -114.62 131.32 56.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.17 -48.88 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -51.59 -54.42 27.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.4 -28.2 71.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -62.61 -175.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.767 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -116.34 169.93 6.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.33 -25.44 46.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.767 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 18.0 mt -83.39 -46.38 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 39.6 ttt180 -52.71 -51.29 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.718 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.1 tt0 -55.24 -41.58 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.29 69.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 84' ' ' LEU . 39.7 t -59.88 -42.55 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 86' ' ' GLU . 9.7 mt -56.19 -37.55 69.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -23.01 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.959 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.5 mm-40 -105.42 -43.95 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.26 116.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.959 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -118.77 144.76 36.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.6 Cg_endo -74.97 140.89 26.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.801 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.475 ' HE1' HD11 ' A' ' 6' ' ' LEU . 5.5 ptm . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.656 ' O ' HD22 ' A' ' 6' ' ' LEU . 2.9 m-20 -149.16 161.75 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.67 -44.23 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.14 -44.9 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -62.34 -34.82 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -57.21 -44.25 83.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -70.99 -35.8 72.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -51.16 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.051 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.23 -30.9 68.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.69 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.62 -42.32 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.96 -46.56 87.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.83 -37.7 67.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.051 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 20.2 t -66.01 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.637 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.5 -42.79 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -33.74 72.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.928 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.49 -42.46 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.928 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -57.4 -42.62 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.276 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.45 70.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -72.61 -20.06 61.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.513 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 96.3 m-70 -98.18 -4.38 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' C ' ' HA ' ' A' ' 48' ' ' PHE . . . 104.09 -13.29 52.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.755 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -61.75 129.99 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -49.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -78.84 60.26 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.708 ' HA ' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -78.06 101.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -138.41 156.39 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 31' ' ' VAL . 2.5 t -102.22 119.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 1.9 p90 -124.66 131.21 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.07 15.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -30.95 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG12 ' HB2' ' A' ' 36' ' ' ALA . 18.9 m -58.06 -42.47 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . . . -53.03 -36.79 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -18.34 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.73 33.25 4.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.38 125.1 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.78 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.641 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -177.57 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -49.9 178.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -13.87 60.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -111.44 39.45 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 19.3 m -142.92 169.61 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.31 178.92 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -115.19 116.61 28.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.81 ' N ' HD22 ' A' ' 42' ' ' LEU . 71.7 m-20 -89.87 119.87 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 42' ' ' LEU . 1.4 tp -135.53 125.13 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.717 HD13 HD12 ' A' ' 80' ' ' LEU . 12.2 tp -99.3 113.51 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -129.22 158.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -127.19 120.75 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 53.5 m-85 -88.48 125.45 34.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -124.61 177.69 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 71.98 -146.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.85 72.86 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -109.32 154.46 22.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 p -134.63 174.16 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -34.43 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -41.86 72.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -70.8 -37.4 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 10.6 m170 -59.07 -52.07 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.4 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.1 mmt85 -69.45 -34.02 73.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.918 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.63 -48.35 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -62.49 -45.79 91.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -67.66 -31.68 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.691 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.38 -45.83 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -60.3 -42.2 95.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 75.2 mt-10 -67.77 -26.8 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -49.42 23.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.77 -46.04 87.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.825 ' O ' HG13 ' A' ' 70' ' ' VAL . 17.1 mt -85.12 -5.7 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.11 22.86 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 68' ' ' LEU . 18.2 m -134.45 -175.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -79.85 130.41 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.779 HG13 HD12 ' A' ' 42' ' ' LEU . 11.7 t -133.27 136.73 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.07 111.37 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.693 HD11 ' HG ' ' A' ' 64' ' ' LEU . 27.8 mt -97.29 143.93 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.524 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 16.8 t -125.48 144.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 p -109.6 131.91 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.701 ' HG2' HD11 ' A' ' 45' ' ' LEU . 14.0 mt-10 -48.52 -46.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -48.37 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.83 -4.73 55.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.717 HD12 HD13 ' A' ' 45' ' ' LEU . 3.8 mt -88.16 -179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -102.59 164.37 15.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -25.12 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.976 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -83.32 -48.98 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.8 ttm180 -53.25 -50.92 63.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 89' ' ' LEU . 4.6 tt0 -54.74 -42.3 71.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -71.55 -37.05 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 84' ' ' LEU . 82.4 t -59.43 -37.03 67.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 86' ' ' GLU . 55.2 mt -55.94 -44.55 78.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.26 -23.39 8.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.6 mm-40 -103.1 -45.77 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -39.26 130.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pt -127.59 121.29 22.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.69 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' HD21 ' A' ' 6' ' ' LEU . 1.5 ttm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.533 0.206 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.609 ' O ' HD12 ' A' ' 6' ' ' LEU . 5.5 m-20 -133.73 158.9 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.74 -45.86 92.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -65.32 -44.65 87.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.3 m -66.1 -35.31 80.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -54.41 -42.89 70.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HD2' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -57.69 -28.32 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.32 -54.66 44.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.778 ' HB3' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -78.88 -32.23 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.809 ' NH2' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -55.33 -37.24 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.2 -46.36 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -71.37 -35.57 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.809 HG21 ' NH2' ' A' ' 10' ' ' ARG . 40.5 t -64.97 -34.33 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.701 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.52 -42.31 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -45.33 90.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.4 pp -73.64 -36.62 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.8 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.8 m -58.39 -41.26 84.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -67.98 -33.65 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -73.33 -18.13 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 83.2 m-70 -93.84 4.76 53.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.58 -24.73 29.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -47.62 156.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -147.2 123.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 8.6 mmt180 84.58 -51.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.815 ' HA ' HG12 ' A' ' 46' ' ' VAL . 7.5 t 56.22 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 4.6 mtm180 -125.75 154.79 42.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.667 HG23 HD23 ' A' ' 44' ' ' LEU . 1.5 p -114.94 119.34 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.762 ' CD2' HG13 ' A' ' 88' ' ' VAL . 3.8 p90 -120.66 148.04 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.16 -164.23 20.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -72.51 -36.8 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 36' ' ' ALA . 24.4 t -58.53 -36.01 57.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.3 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.8 -16.79 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.37 32.54 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 3.3 mm-40 -127.64 133.11 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 173.42 106.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -54.91 177.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.8 -1.0 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.09 21.87 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 8.6 t -97.64 156.25 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 172.74 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD23 HG22 ' A' ' 72' ' ' VAL . 19.1 tp -115.14 111.17 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.67 125.68 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.667 HD23 HG23 ' A' ' 27' ' ' VAL . 65.3 mt -132.12 126.22 33.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.661 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -100.39 112.14 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.815 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -132.12 153.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -128.5 120.54 26.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HE2' HD12 ' A' ' 60' ' ' LEU . 34.0 m-85 -90.15 127.88 36.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -100.01 -162.1 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 5.5 tt0 49.7 -150.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.76 84.54 0.36 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -110.01 156.43 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -113.06 168.93 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.71 -30.04 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -44.05 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -69.76 -38.05 76.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 21.0 m170 -63.47 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.74 82.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.757 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.0 mtt180 -69.53 -34.1 73.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.53 -49.55 76.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.8 -43.99 86.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -61.64 -36.68 81.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.31 -36.42 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.785 ' CD2' HG13 ' A' ' 13' ' ' VAL . 1.4 mt -71.13 -44.06 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.3 mt-10 -65.18 -28.65 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.93 -48.86 19.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.23 -45.84 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -82.31 -15.0 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.97 20.48 1.92 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.0 m -136.38 157.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.86 128.37 20.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.749 HG22 HD23 ' A' ' 42' ' ' LEU . 91.1 t -133.82 139.54 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -120.53 109.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.763 HG23 ' CG2' ' A' ' 46' ' ' VAL . 88.7 mt -93.49 144.97 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 80' ' ' LEU . 2.3 t -125.89 143.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLY . 4.4 p -107.63 120.83 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.513 ' CG ' HD21 ' A' ' 45' ' ' LEU . 29.2 mt-10 -42.73 -35.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -42.36 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -74.85 -37.23 45.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.921 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.68 140.23 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -73.69 170.53 13.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -25.26 53.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.997 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -82.79 -35.82 26.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.502 ' HG2' HD11 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -53.29 -49.99 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.89 -41.26 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.75 -36.98 70.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 84' ' ' LEU . 45.0 t -64.9 -49.32 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 6.7 mt -58.17 -41.24 83.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -53.63 -26.89 24.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.58 -37.02 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 26' ' ' ARG . . . -57.25 135.45 56.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.2 pt -126.75 132.61 24.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.78 9.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.588 ' SD ' HG21 ' A' ' 70' ' ' VAL . 2.2 ttm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.524 0.202 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.571 ' O ' HD22 ' A' ' 6' ' ' LEU . 1.3 m-20 -108.2 161.18 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.674 HD11 ' CA ' ' A' ' 34' ' ' GLY . 1.6 mm? -55.22 -46.21 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 -43.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' NH1' ' A' ' 9' ' ' ARG . 22.2 m -68.5 -32.4 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.624 HD13 ' HD3' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -55.53 -49.03 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.32 -54.87 41.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -75.77 -30.29 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.837 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.99 -33.07 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -47.68 60.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.08 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.848 HG21 HD11 ' A' ' 68' ' ' LEU . 73.3 t -58.52 -43.93 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -57.92 -43.08 86.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.77 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.75 -40.64 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.954 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.2 m -58.39 -41.38 84.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.62 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -33.48 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 43.5 m-70 -80.27 -11.79 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.35 26.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -70.57 104.34 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.71 -41.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -83.71 62.29 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG11 ' HG ' ' A' ' 14' ' ' LEU . 38.4 t -82.25 112.35 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB3' ' CA ' ' A' ' 94' ' ' PRO . 6.1 ptm180 -151.5 155.5 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.977 HG12 HG23 ' A' ' 31' ' ' VAL . 1.2 t -105.21 122.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.649 ' CG ' HG13 ' A' ' 88' ' ' VAL . 13.0 p90 -121.84 140.4 52.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.34 -151.5 17.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.411 ' OG ' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -72.65 -31.15 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 HG12 ' A' ' 27' ' ' VAL . 26.4 m -58.83 -45.48 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 27' ' ' VAL . . . -55.5 -33.61 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -82.78 -17.26 44.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.674 ' CA ' HD11 ' A' ' 3' ' ' LEU . . . 101.23 29.85 6.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' OG ' ' A' ' 30' ' ' SER . 5.8 tp10 -123.8 127.68 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.655 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -175.42 86.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 168.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.72 -9.04 40.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.53 -2.13 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.11 175.29 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.51 178.07 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.984 HD11 HD13 ' A' ' 44' ' ' LEU . 2.5 tm? -101.85 116.64 33.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.3 m-20 -94.88 116.37 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.984 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -130.84 125.57 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.649 HD22 HG11 ' A' ' 88' ' ' VAL . 2.6 tp -99.65 113.05 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.649 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -123.86 158.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.46 121.23 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 57.1 m-85 -92.66 120.54 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLU . 12.5 pt-20 -81.12 -167.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . 5.2 tt0 38.01 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.33 75.12 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.16 148.91 30.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.456 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 75.5 p -96.95 165.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -65.89 -28.81 69.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -44.29 82.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.3 -37.07 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 13.7 m170 -61.13 -50.54 72.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.565 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -65.5 -36.21 83.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -63.57 -40.2 96.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.851 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.89 -44.82 91.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 3.1 tptm -57.26 -52.2 66.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 58' ' ' ALA . 6.4 mp -60.55 -29.21 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.904 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.14 -41.93 69.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.731 HD22 HG13 ' A' ' 13' ' ' VAL . 2.6 mt -68.77 -42.35 77.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -58.6 -36.12 73.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.3 -49.73 14.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -45.4 85.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.848 HD11 HG21 ' A' ' 13' ' ' VAL . 5.8 mp -81.6 -13.86 57.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.11 20.94 2.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.0 m -147.58 148.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -36.84 133.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 70' ' ' VAL . 54.8 t -133.38 138.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -121.56 111.33 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.649 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.5 mt -102.6 142.75 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.4 t -131.62 145.74 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 p -106.94 122.86 47.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.512 ' CG ' HD11 ' A' ' 45' ' ' LEU . 53.8 mt-10 -42.35 -43.15 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -55.31 -49.78 71.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.77 -28.05 73.4 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.561 1.163 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.638 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.2 mt -59.89 -178.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -105.37 165.1 13.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -25.41 45.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 33.7 mt -83.84 -43.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 43.3 ttt180 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.87 -42.89 76.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -37.82 70.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 84' ' ' LEU . 56.1 t -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 9.6 mt -55.82 -38.12 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -23.39 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 93' ' ' ILE . 6.3 mm-40 -112.56 -43.29 3.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -44.72 128.59 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.5 pp -126.48 114.18 23.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.481 ' CA ' ' HB3' ' A' ' 26' ' ' ARG . 18.4 Cg_endo -74.96 116.01 4.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 HD13 ' A' ' 14' ' ' LEU . 2.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.826 ' HE1' HD21 ' A' ' 6' ' ' LEU . 4.8 mtp . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.55 0.214 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 6' ' ' LEU . 4.1 m-20 -146.88 154.51 41.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.6 -46.86 86.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -44.66 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -33.9 72.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.826 HD21 ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.658 ' NH1' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.03 -35.45 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.721 ' O ' HD23 ' A' ' 14' ' ' LEU . 10.3 mtt-85 -62.26 -33.49 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.1 -47.99 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.49 -35.52 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 9' ' ' ARG . 37.7 t -67.28 -36.31 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -57.4 -43.7 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.95 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.86 -40.74 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.95 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -56.62 -39.5 73.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.52 76.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -67.61 -38.06 83.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 53.1 m-70 -71.56 -28.95 64.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 130.84 -15.28 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -60.98 114.27 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 49' ' ' GLU . 31.2 m -101.91 -43.55 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -98.24 80.4 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG11 HD22 ' A' ' 14' ' ' LEU . 2.7 t -88.56 104.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -137.65 155.42 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.439 HG22 ' CA ' ' A' ' 32' ' ' ALA . 2.5 p -107.82 125.5 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 9.9 p90 -123.66 140.79 52.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.66 -151.13 18.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -37.71 67.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.735 HG11 HD23 ' A' ' 42' ' ' LEU . 77.8 t -58.55 -33.96 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.439 ' CA ' HG22 ' A' ' 27' ' ' VAL . . . -58.78 -30.33 67.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -13.28 28.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.61 28.05 6.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.96 133.87 55.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.46 95.31 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -40.59 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.32 -2.57 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.99 17.81 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 37' ' ' ARG . 1.1 m -103.55 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.97 159.23 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.026 HD12 HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -80.32 116.96 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.48 ' N ' HD22 ' A' ' 42' ' ' LEU . 77.0 m-20 -99.59 120.57 39.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 42' ' ' LEU . 1.1 tp -135.58 125.4 25.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -99.07 111.79 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.618 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -123.0 157.57 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -128.58 121.05 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.75 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 31.8 m-85 -91.82 138.81 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 35.7 mt-10 -54.39 -162.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.83 1.52 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.54 42.01 1.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -129.93 138.96 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -89.44 149.97 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -57.49 -29.28 64.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -42.39 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.64 -36.92 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 15.1 m170 -58.66 -51.86 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.0 85.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 62' ' ' LEU . 24.5 mtt-85 -66.38 -34.01 77.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.588 HD12 ' HE2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -57.65 -39.78 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -65.29 -48.65 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -66.43 -31.3 71.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -69.82 -39.63 76.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.67 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -71.99 -34.57 69.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.9 mt-10 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.45 -51.17 13.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.556 HD13 ' CG2' ' A' ' 13' ' ' VAL . 5.9 mt -64.19 -43.81 93.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.658 HD11 ' NH1' ' A' ' 9' ' ' ARG . 6.8 mt -82.06 -14.6 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.59 21.78 0.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 72' ' ' VAL . 23.4 m -141.29 157.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -45.59 123.72 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.026 HG13 HD12 ' A' ' 42' ' ' LEU . 54.8 t -134.16 138.92 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.74 131.61 54.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.67 HD11 ' HG ' ' A' ' 64' ' ' LEU . 72.0 mt -118.02 145.17 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 38.9 t -125.31 145.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -104.63 127.95 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.658 ' CG ' HD11 ' A' ' 45' ' ' LEU . 16.0 mt-10 -48.92 -37.29 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -50.79 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.3 65.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 mt -66.19 -175.52 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -111.22 166.74 10.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.03 -44.43 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -78.24 -26.02 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.9 mt -83.51 -45.79 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HG2' HD11 ' A' ' 89' ' ' LEU . 20.5 ttt-85 -52.92 -50.81 63.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.14 -41.11 71.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -36.78 69.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 84' ' ' LEU . 60.5 t -65.0 -50.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.537 HD11 ' HG2' ' A' ' 85' ' ' ARG . 6.3 mt -56.8 -25.92 56.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -71.07 -23.18 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.818 ' O ' HG23 ' A' ' 93' ' ' ILE . 11.0 mm-40 -107.48 -44.8 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.04 135.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 91' ' ' GLU . 9.8 pt -135.28 147.87 63.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.89 23.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.879 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.591 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 111.0 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -121.75 152.9 38.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.81 -47.15 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.13 -45.28 71.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 1.2 m -71.79 -31.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -52.54 -40.25 62.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.94 70.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.28 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HD2' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.33 -36.69 71.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.41 -37.22 72.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.38 -46.89 87.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.77 70.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.844 HG13 HD22 ' A' ' 64' ' ' LEU . 24.4 t -66.93 -37.15 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.999 ' HG ' HD12 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -59.12 -43.41 91.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -33.16 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.898 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -75.29 -38.89 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.898 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.17 -42.46 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.3 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.28 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -73.0 -26.51 61.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.854 ' HB3' HD22 ' A' ' 60' ' ' LEU . 6.3 m-70 -81.97 5.12 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.97 -25.18 24.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.758 ' HB3' ' C ' ' A' ' 17' ' ' CYS . . . -43.67 158.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -147.03 -49.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.701 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 2.8 mmt85 -110.48 65.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.983 ' HA ' HG12 ' A' ' 46' ' ' VAL . 24.1 t -70.75 125.91 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 mtt180 -151.97 155.32 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.513 HG23 HD23 ' A' ' 44' ' ' LEU . 5.3 p -116.86 119.56 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.707 ' CD2' HG13 ' A' ' 88' ' ' VAL . 15.4 p90 -122.9 148.01 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -157.91 16.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 36' ' ' ALA . 44.2 t -58.77 -38.26 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -58.7 -29.99 67.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -89.63 -13.77 36.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.14 37.9 3.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -129.35 125.81 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.814 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -174.97 -165.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 174.68 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -18.15 41.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -110.29 62.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.05 -174.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.73 163.64 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' HG21 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -113.84 118.97 35.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 3.0 m-20 -79.93 112.94 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD23 HG23 ' A' ' 27' ' ' VAL . 15.5 mt -118.87 124.85 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 77' ' ' GLU . 22.3 tp -96.18 116.36 28.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.983 HG12 ' HA ' ' A' ' 25' ' ' VAL . 9.3 m -133.76 159.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -128.12 121.34 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 71.1 m-85 -92.25 128.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.13 -164.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -92.72 127.43 38.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -23.31 9.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -77.02 148.12 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.1 p -129.74 172.71 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -31.21 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -55.21 -44.06 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -68.81 -36.64 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 13.3 m170 -58.59 -45.67 88.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.64 84.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -69.67 -35.04 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.854 HD22 ' HB3' ' A' ' 20' ' ' HIS . 5.1 tp -70.25 -48.07 58.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.87 -49.06 77.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.779 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.61 -33.71 76.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.554 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -68.35 -35.88 78.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.844 HD22 HG13 ' A' ' 13' ' ' VAL . 2.8 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 39.1 mt-10 -67.79 -30.09 69.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.51 -51.22 17.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.558 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.64 -46.34 79.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.6 mp -82.61 -1.85 52.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 37.35 30.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 68' ' ' LEU . 24.3 m -157.13 158.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -45.47 138.16 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 70' ' ' VAL . 53.7 t -133.2 135.7 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.73 112.74 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.523 HG23 HG21 ' A' ' 46' ' ' VAL . 87.0 mt -101.73 144.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.463 HG11 HD21 ' A' ' 80' ' ' LEU . 1.3 t -130.12 142.44 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 90.8 p -111.33 126.14 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.697 ' HG2' HD11 ' A' ' 45' ' ' LEU . 2.5 mt-10 -40.59 -51.32 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -38.27 6.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -75.82 -38.29 36.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.739 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -61.42 138.41 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.727 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -68.14 167.05 19.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.02 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -76.61 -26.44 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.983 ' O ' HG23 ' A' ' 88' ' ' VAL . 17.5 mt -81.86 -34.11 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 23.3 ttm180 -54.37 -50.54 67.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.71 -42.67 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.31 -36.51 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 84' ' ' LEU . 65.3 t -65.62 -49.72 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.687 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 17.4 mt -56.36 -37.42 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -53.55 -23.8 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.8 mm-40 -113.87 -29.89 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -54.56 121.07 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.645 HG23 ' O ' ' A' ' 91' ' ' GLU . 38.6 pt -125.19 147.44 57.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 116.77 4.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.999 HD12 ' HG ' ' A' ' 14' ' ' LEU . 2.4 tm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.808 ' HE3' HD22 ' A' ' 68' ' ' LEU . 10.6 ptm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.438 0.161 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 171.62 -179.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.8 mm? -61.2 -45.3 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.63 -46.11 77.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.79 -34.02 71.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.28 -44.94 84.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -64.54 -33.87 76.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -51.24 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.682 ' CZ ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.1 -32.7 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.85 ' NH2' HG22 ' A' ' 27' ' ' VAL . 11.4 mmt180 -58.58 -33.14 69.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.27 -48.37 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.39 64.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.895 HG23 HD22 ' A' ' 67' ' ' LEU . 12.0 t -67.85 -35.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.798 HD11 HG11 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -59.22 -44.94 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -33.79 70.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.8 -39.02 57.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.899 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -55.66 -43.85 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.89 72.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -19.87 63.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.967 ' HB2' HD22 ' A' ' 60' ' ' LEU . 97.5 m-70 -102.84 1.15 33.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 101.6 -24.61 30.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -50.07 129.96 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -133.36 -50.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 22.3 mmt180 -77.23 63.53 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.798 HG11 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -67.75 112.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.721 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -151.66 153.32 34.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.85 HG22 ' NH2' ' A' ' 10' ' ' ARG . 1.5 t -107.86 122.32 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.2 p90 -123.11 135.44 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.13 -159.82 14.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -30.51 64.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.723 HG11 ' HA ' ' A' ' 42' ' ' LEU . 30.1 m -57.82 -48.93 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -53.21 -35.71 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 9.5 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.62 50.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 12.3 mt-10 -130.43 126.51 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 171.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.41 -2.56 49.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -122.47 27.57 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -120.83 166.48 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.53 179.81 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.723 ' HA ' HG11 ' A' ' 31' ' ' VAL . 68.7 tp -115.73 110.01 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.87 119.04 27.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.785 ' CD2' HG13 ' A' ' 27' ' ' VAL . 91.9 mt -125.69 129.44 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.952 HD23 ' HB2' ' A' ' 92' ' ' ALA . 18.3 tp -102.0 113.61 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -136.32 150.52 27.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -129.51 123.76 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.841 ' HE2' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.48 144.18 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 5.7 pt-20 -84.92 -151.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 51' ' ' GLY . 4.4 tt0 -85.08 158.99 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 50' ' ' GLU . . . 94.51 -32.15 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.484 ' HG2' ' CB ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -76.08 157.63 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 p -135.3 175.0 9.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -34.74 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.01 -42.99 73.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.25 -36.42 81.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 9.7 m-70 -59.05 -52.45 65.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.74 -39.89 80.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.6 mmt85 -62.88 -43.54 98.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.967 HD22 ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -58.34 -37.92 76.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 74' ' ' ILE . 2.4 tptm -66.1 -51.99 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.812 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.56 -47.54 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.879 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -60.29 -40.76 91.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 69' ' ' GLY . 63.7 mt-10 -72.57 -27.36 62.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.57 35.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.895 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.28 -46.39 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.76 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.881 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.2 mt -87.31 -8.19 56.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.37 20.77 2.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 68' ' ' LEU . 12.2 m -130.42 178.62 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -76.35 128.47 34.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.4 t -133.82 145.0 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -115.17 113.99 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.879 HD11 ' HG ' ' A' ' 64' ' ' LEU . 20.8 mt -103.13 145.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -131.64 145.75 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 p -107.87 120.89 43.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.515 ' CG ' HD11 ' A' ' 45' ' ' LEU . 22.5 mt-10 -42.32 -37.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -54.63 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.14 91.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.046 HD12 HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -56.39 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.858 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -45.15 161.74 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 -43.08 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -75.73 -27.23 58.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 88' ' ' VAL . 18.9 mt -82.84 -33.08 27.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 47.2 ttp180 -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.72 -41.96 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.56 -36.35 68.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.046 HG21 HD12 ' A' ' 80' ' ' LEU . 47.0 t -69.97 -45.87 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.502 HD23 HD21 ' A' ' 45' ' ' LEU . 93.6 mt -56.18 -49.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -22.88 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 93' ' ' ILE . 1.7 mm-40 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.952 ' HB2' HD23 ' A' ' 45' ' ' LEU . . . -48.06 144.82 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.598 HG23 ' O ' ' A' ' 91' ' ' GLU . 34.6 pt -138.16 132.29 16.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.4 Cg_endo -74.99 128.89 11.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.784 HD13 ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.516 ' CE ' HD22 ' A' ' 68' ' ' LEU . 1.1 ttm . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.495 0.188 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -154.88 159.26 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 4.2 mm? -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -64.63 -38.39 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -41.96 92.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 mt -57.02 -43.27 81.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -63.07 -40.47 97.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -51.38 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 1.016 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.45 -29.35 67.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.683 HH22 HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -56.47 -42.75 78.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -48.39 81.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.99 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.016 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 31.4 t -65.04 -42.57 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -57.63 -43.54 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -38.72 91.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.936 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.62 -38.94 53.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.936 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.1 m -57.63 -42.28 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -27.03 60.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.758 ' CB ' HD22 ' A' ' 60' ' ' LEU . 68.4 m-70 -97.42 6.01 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.674 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 80.59 74.6 1.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.809 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -156.76 89.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 m -89.87 -34.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.28 54.25 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.693 ' HA ' HG12 ' A' ' 46' ' ' VAL . 22.0 t -71.11 74.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.53 155.12 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.683 HG11 HH22 ' A' ' 10' ' ' ARG . 1.5 p -107.23 117.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.6 p90 -122.97 147.83 46.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 111.5 -170.88 13.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -35.65 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.853 HG11 HD22 ' A' ' 42' ' ' LEU . 9.2 m -59.02 -35.09 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -60.07 -36.33 77.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.25 9.2 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.65 12.08 84.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.37 125.51 35.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.39 148.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -125.85 -175.58 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.81 -1.31 30.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.38 42.97 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p -126.36 176.54 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.26 174.48 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.853 HD22 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -114.91 121.04 41.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' H ' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.07 114.05 28.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.794 ' HG ' HD12 ' A' ' 42' ' ' LEU . 15.1 mt -131.37 127.65 38.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 HD12 ' A' ' 80' ' ' LEU . 18.9 tp -97.89 121.85 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -130.63 158.88 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.5 124.32 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.679 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 31.2 m-85 -92.87 117.3 29.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.8 pt-20 -93.96 -157.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 6.0 tt0 38.87 -147.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.53 90.43 0.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.816 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.6 160.12 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 61.1 p -129.49 173.95 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.722 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -60.74 -28.04 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -45.09 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -37.78 72.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.679 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 14.1 m170 -60.43 -50.22 74.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.645 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.44 82.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.666 ' HA ' HD23 ' A' ' 62' ' ' LEU . 3.0 mmt180 -68.54 -37.78 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.758 HD22 ' CB ' ' A' ' 20' ' ' HIS . 3.2 tp -58.27 -50.19 74.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.49 -44.51 89.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -65.83 -31.98 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -73.84 -43.1 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 74' ' ' ILE . 1.1 mt -65.08 -40.0 94.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.4 mt-10 -68.96 -26.86 65.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -45.06 45.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -63.6 -46.38 86.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.995 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.1 mt -90.33 1.87 56.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 38.72 29.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.995 HG13 ' O ' ' A' ' 68' ' ' LEU . 22.2 m -132.84 -171.5 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -90.18 128.73 36.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.91 143.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -118.75 111.44 18.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.616 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 6.2 mt -96.14 143.83 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -127.45 146.41 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' GLY . 3.8 p -107.17 123.04 47.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.51 ' HG3' HD11 ' A' ' 45' ' ' LEU . 13.6 mt-10 -41.43 -51.97 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.21 65.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.64 -28.51 65.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.662 HD12 HD13 ' A' ' 45' ' ' LEU . 3.1 mt -62.81 -176.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -108.59 166.45 10.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.0 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -78.61 -25.7 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.994 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -82.94 -48.13 11.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -52.64 -51.22 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 89' ' ' LEU . 3.1 mt-10 -54.32 -43.1 70.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.69 -36.91 67.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 84' ' ' LEU . 96.3 t -59.93 -39.4 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 86' ' ' GLU . 34.6 mt -56.03 -45.32 79.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -53.92 -23.99 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 93' ' ' ILE . 23.6 mm-40 -100.95 -49.05 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.15 137.42 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 91' ' ' GLU . 37.7 pt -134.26 131.35 20.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.874 ' CE ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.488 0.185 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.706 ' O ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-20 -138.26 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 4.5 mm? -70.25 -46.47 64.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.37 -46.02 78.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.573 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.4 m -61.45 -32.49 72.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.874 HD11 ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.22 -47.78 82.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.2 mmt85 -56.17 -31.93 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.63 -55.08 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.844 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -77.81 -31.03 51.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.794 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.93 -30.14 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.82 -48.18 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.18 65.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.2 t -65.36 -40.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.92 -43.01 85.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -37.1 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.05 -36.57 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.873 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -56.3 -42.57 77.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.29 -33.17 71.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -65.33 -19.44 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 63.8 m-70 -93.55 -31.98 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.67 -14.67 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 107.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.09 -43.38 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -86.56 81.23 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.68 HG11 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -91.18 113.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.676 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -151.53 152.33 32.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 32' ' ' ALA . 21.0 t -103.98 122.07 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CG ' HG13 ' A' ' 88' ' ' VAL . 2.8 p90 -124.91 133.41 53.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.32 -157.77 16.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -29.74 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.893 HG11 HD13 ' A' ' 42' ' ' LEU . 29.0 t -57.42 -48.61 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.776 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -61.0 -31.77 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -80.87 -14.57 57.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.99 43.3 2.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.8 mm-40 -137.39 127.4 25.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 175.45 125.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -175.08 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.3 -0.73 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -113.97 10.12 17.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -122.94 168.61 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.35 175.93 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.893 HD13 HG11 ' A' ' 31' ' ' VAL . 12.3 tp -110.37 111.91 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 16.4 m-20 -86.38 115.18 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.737 HD11 HD21 ' A' ' 42' ' ' LEU . 85.1 mt -133.55 126.85 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -103.74 113.55 27.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.624 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.71 158.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -125.15 122.09 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 92.1 m-85 -92.55 122.03 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.21 -168.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 42.15 -154.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.75 65.53 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -78.4 137.85 38.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -104.43 170.96 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -42.75 74.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -70.15 -37.0 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 15.0 m170 -60.37 -48.95 79.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.43 75.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -63.02 -39.04 93.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.818 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -74.29 -41.45 61.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.88 -39.77 94.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -73.05 -34.63 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.96 -36.06 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.693 HD22 HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -70.0 -37.33 75.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 10.8 mt-10 -66.17 -32.53 74.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.47 -49.5 19.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.752 HD23 HG22 ' A' ' 13' ' ' VAL . 3.3 mp -64.54 -44.79 89.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.732 HD11 HH21 ' A' ' 10' ' ' ARG . 6.0 mt -82.02 -14.21 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.78 20.22 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 72' ' ' VAL . 20.7 m -142.96 161.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -51.79 132.69 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 70' ' ' VAL . 78.8 t -133.6 136.4 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -112.39 114.09 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.595 HG23 ' CG2' ' A' ' 46' ' ' VAL . 4.3 mt -106.43 143.32 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 42.9 t -131.17 145.05 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -108.22 121.8 45.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CG ' HD21 ' A' ' 45' ' ' LEU . 20.1 mt-10 -40.42 -29.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' SER . 7.0 ttt180 -68.6 -54.77 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.69 -18.37 63.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.48 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -67.39 -175.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -118.48 172.16 4.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.98 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -25.0 45.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.011 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.3 mp -82.99 -48.22 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG2' HD11 ' A' ' 89' ' ' LEU . 13.4 ttp180 -52.7 -50.5 63.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.35 -42.86 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.4 -37.33 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 84' ' ' LEU . 59.0 t -63.06 -49.09 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -56.14 -37.45 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -22.96 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 93' ' ' ILE . 8.8 mm-40 -109.38 -42.05 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.676 ' HB1' ' HB3' ' A' ' 26' ' ' ARG . . . -39.06 115.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.905 HG23 ' O ' ' A' ' 91' ' ' GLU . 3.1 pt -117.95 129.33 25.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.792 HD13 ' HG2' ' A' ' 10' ' ' ARG . 1.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.732 ' HE1' HD11 ' A' ' 6' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.478 0.18 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.628 ' O ' HD22 ' A' ' 6' ' ' LEU . 30.4 t0 -118.51 169.49 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.806 HD11 ' HA2' ' A' ' 34' ' ' GLY . 2.0 mm? -63.57 -46.53 85.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -36.8 63.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.474 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 m -79.01 -31.95 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.732 HD11 ' HE1' ' A' ' 1' ' ' MET . 0.3 OUTLIER -56.25 -55.06 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 1.3 ptm180 -68.86 -29.33 67.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 5' ' ' THR . . . -68.21 -49.01 63.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.825 ' HE ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.42 -31.99 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.694 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.35 -31.23 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.08 -48.34 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -73.84 -36.2 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.013 HG23 HD22 ' A' ' 67' ' ' LEU . 3.3 t -67.89 -34.71 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -61.87 -40.96 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -44.82 96.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.3 pp -75.19 -30.01 60.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.572 ' SG ' HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -71.11 -33.03 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.62 -40.93 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 89.9 m-70 -75.25 -33.32 61.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.18 54.13 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -124.43 133.15 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.765 ' CG2' ' HB3' ' A' ' 47' ' ' ALA . 5.6 m -120.45 -158.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 5.8 mmt85 37.37 31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.623 HG21 ' CD1' ' A' ' 14' ' ' LEU . 3.4 m -49.14 103.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 1.5 mtt-85 -152.46 155.55 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.12 122.93 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' CG ' HG22 ' A' ' 88' ' ' VAL . 4.6 p90 -123.0 147.88 46.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 110.83 -169.8 13.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -37.44 80.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 36' ' ' ALA . 4.4 m -59.25 -34.16 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -58.76 -42.42 88.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -1.44 37.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.806 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 85.48 37.68 9.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.6 mm-40 -119.93 125.68 49.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . 173.73 122.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.39 -174.98 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.26 -2.35 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -130.61 23.13 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.42 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 2.4 t -98.56 155.61 17.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -95.24 165.97 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.064 HD12 HG13 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -114.09 131.41 56.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' HD22 ' A' ' 42' ' ' LEU . 13.8 m-20 -108.68 118.95 38.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.813 HD13 HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -130.45 125.9 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD11 ' HG3' ' A' ' 77' ' ' GLU . 1.2 tp -100.15 114.88 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.612 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.56 130.94 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.765 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -95.67 123.14 39.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.789 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 54.1 m-85 -92.27 117.72 30.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.18 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -82.04 144.64 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.09 -24.31 30.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HD3' ' A' ' 52' ' ' ARG . 15.0 mmt180 -76.76 141.22 40.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.527 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 76.7 p -129.27 173.29 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -32.27 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -43.12 72.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.85 -36.83 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.5 m170 -59.31 -52.07 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.41 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HA ' HD23 ' A' ' 62' ' ' LEU . 11.5 mmt85 -63.56 -36.74 84.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -75.9 -46.02 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.94 -40.97 81.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.518 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -73.8 -37.11 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.92 79.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD21 HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -70.84 -37.09 73.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 72' ' ' VAL . 45.1 mt-10 -69.52 -27.09 64.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.89 -44.28 47.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.013 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.7 -45.31 90.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.825 HD11 ' HE ' ' A' ' 9' ' ' ARG . 4.2 mt -83.22 -14.59 52.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 53.88 17.6 7.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.616 HG21 ' SD ' ' A' ' 1' ' ' MET . 16.3 m -135.99 176.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.79 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.04 133.14 50.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.064 HG13 HD12 ' A' ' 42' ' ' LEU . 38.5 t -133.68 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 110.88 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.612 HG23 ' CG2' ' A' ' 46' ' ' VAL . 42.3 mt -99.84 142.19 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 18.5 t -126.59 145.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 2.3 p -106.34 122.04 45.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.584 ' HG3' HD11 ' A' ' 45' ' ' LEU . 9.4 mt-10 -43.98 -34.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -68.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.71 -22.1 8.01 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 45' ' ' LEU . 3.4 mt -60.54 -175.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -111.16 168.55 7.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 -45.16 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -79.02 -24.65 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -83.64 -43.29 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.509 ' O ' HG12 ' A' ' 88' ' ' VAL . 57.5 ttt180 -54.99 -50.04 69.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -63.37 -37.64 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -72.57 -40.25 66.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.54 HG22 ' CG ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.39 -48.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 2.4 mt -53.44 -51.4 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -52.6 -23.97 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.4 mm-40 -96.7 -31.68 12.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -58.37 132.29 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pt -119.37 147.55 43.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.01 138.5 23.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.774 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.42 ' CE ' ' HE ' ' A' ' 9' ' ' ARG . 84.9 mmm . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.517 0.199 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.893 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 m-20 -165.76 156.9 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 4.2 mm? -62.04 -45.73 92.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -67.01 -39.52 87.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -55.83 -36.13 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -73.39 -39.05 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -51.6 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.696 ' NH1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.31 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.993 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.88 -39.98 93.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.28 -48.14 82.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.554 HG21 HD11 ' A' ' 68' ' ' LEU . 3.8 t -63.92 -35.17 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.91 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -63.61 -44.1 94.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -35.66 72.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.064 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -75.52 -43.93 46.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.012 ' N ' HD23 ' A' ' 16' ' ' LEU . 3.7 m -58.72 -41.56 86.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.0 74.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.36 63.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.57 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 30.5 m-70 -92.33 -6.14 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.89 -22.19 21.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -46.07 118.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 47' ' ' ALA . 1.3 m -113.51 -37.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.65 52.8 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.751 HG11 HD13 ' A' ' 14' ' ' LEU . 14.2 p -67.94 107.15 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -152.36 156.4 39.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.598 ' C ' ' HB2' ' A' ' 32' ' ' ALA . 2.4 t -102.12 118.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 2.6 p90 -122.86 134.3 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.91 -157.75 14.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -31.62 65.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' A' ' 42' ' ' LEU . 30.6 m -58.74 -48.39 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.598 ' HB2' ' C ' ' A' ' 27' ' ' VAL . . . -53.61 -33.09 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 9.49 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.76 42.67 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.97 129.99 24.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.654 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -160.31 94.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.99 158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.94 -4.11 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.315 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.5 6.23 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -106.28 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . 6.0 m-20 -109.87 -174.21 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.72 ' HA ' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -112.05 123.4 50.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -97.84 131.07 44.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.701 HD11 HD21 ' A' ' 42' ' ' LEU . 85.6 mt -135.22 126.54 28.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 77' ' ' GLU . 7.2 tp -96.71 113.55 25.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.738 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -136.74 153.75 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.82 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -127.92 121.02 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.867 ' HE2' HD12 ' A' ' 60' ' ' LEU . 22.1 m-85 -91.25 132.84 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 pp20? -100.23 162.99 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -36.81 133.04 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.76 -1.1 12.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -133.04 161.25 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 p -136.24 175.84 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -26.98 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -43.87 95.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.717 ' NE2' ' CD1' ' A' ' 48' ' ' PHE . 6.5 m170 -56.85 -52.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -68.55 -41.55 79.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.99 -43.85 97.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.867 HD12 ' HE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.62 -38.11 74.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.976 ' HG3' HD23 ' A' ' 62' ' ' LEU . 2.5 tptm -59.92 -52.24 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.976 HD23 ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -57.73 -40.77 80.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.064 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -58.93 -35.96 73.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.635 ' HG ' HD11 ' A' ' 74' ' ' ILE . 2.9 mt -72.11 -46.18 57.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 36.2 mt-10 -57.05 -26.87 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 -51.32 8.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.05 -42.91 62.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 70' ' ' VAL . 9.0 mp -79.43 -10.86 59.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.478 ' C ' HG13 ' A' ' 70' ' ' VAL . . . 43.5 23.89 0.35 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 68' ' ' LEU . 15.7 m -155.37 154.86 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -40.67 135.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.697 HG13 HD23 ' A' ' 42' ' ' LEU . 3.7 t -133.76 139.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -120.96 110.59 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.848 HD13 HD13 ' A' ' 60' ' ' LEU . 64.3 mt -96.59 144.77 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG11 HD21 ' A' ' 80' ' ' LEU . 2.4 t -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' GLY . 24.3 p -112.36 122.05 46.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.78 ' HG2' HD11 ' A' ' 45' ' ' LEU . 2.3 mt-10 -42.2 -43.23 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.11 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.45 -38.92 51.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.834 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -58.12 144.69 39.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -74.05 166.19 46.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -77.33 -25.35 51.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.046 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -82.96 -34.19 26.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.535 ' HE ' HD11 ' A' ' 89' ' ' LEU . 20.3 ttt180 -53.24 -50.24 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 89' ' ' LEU . 24.4 mm-40 -54.62 -41.46 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -72.16 -36.74 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 84' ' ' LEU . 40.7 t -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.535 HD11 ' HE ' ' A' ' 85' ' ' ARG . 16.2 mt -56.43 -44.21 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -53.59 -23.95 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.4 mm-40 -102.99 -38.15 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -53.0 123.73 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -121.98 125.83 26.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.993 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.542 ' CE ' HD11 ' A' ' 6' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.481 0.181 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.588 ' O ' HD13 ' A' ' 6' ' ' LEU . 2.4 m-20 -123.06 166.29 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -65.11 -47.69 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.7 -44.33 90.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.55 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -69.87 -32.86 71.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.438 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -58.28 -42.35 86.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HA ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.01 -28.65 62.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.5 -56.17 25.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.686 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -78.28 -31.73 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.686 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.55 -34.1 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 -45.11 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.997 HG13 HD22 ' A' ' 64' ' ' LEU . 73.0 t -55.68 -45.28 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 95' ' ' LEU . 6.9 mt -58.2 -43.85 87.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -36.76 85.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.96 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.814 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -54.45 -41.75 69.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.323 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -20.02 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.777 ' CB ' HD22 ' A' ' 60' ' ' LEU . 75.2 m-70 -93.63 -8.96 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.651 ' O ' HG13 ' A' ' 23' ' ' VAL . . . 112.64 -19.43 21.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -56.1 111.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 47' ' ' ALA . 18.0 m -103.5 -53.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.59 72.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.713 ' HB ' HD22 ' A' ' 14' ' ' LEU . 19.7 m -73.66 99.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.57 155.93 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 44' ' ' LEU . 2.0 t -108.3 123.78 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.0 p90 -125.11 135.12 52.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.87 -156.88 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -30.31 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.861 HG11 ' CD2' ' A' ' 42' ' ' LEU . 74.2 t -57.03 -49.2 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.002 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -57.49 -32.93 67.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -10.29 59.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.04 9.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.3 mm-40 -124.66 125.87 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 170.08 93.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -175.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.9 1.72 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.39 -1.99 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.7 t -90.38 170.83 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.17 173.2 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.861 ' CD2' HG11 ' A' ' 31' ' ' VAL . 1.8 tm? -115.16 115.47 26.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 m-20 -98.24 117.26 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.699 HD12 HG13 ' A' ' 27' ' ' VAL . 1.1 tp -129.51 125.76 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -100.43 111.78 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' HD22 ' A' ' 45' ' ' LEU . 1.1 m -129.99 159.52 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.772 ' HB3' HG22 ' A' ' 23' ' ' VAL . . . -117.99 125.45 50.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.637 ' CD2' ' NE2' ' A' ' 57' ' ' HIS . 38.6 m-85 -92.29 117.76 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.582 ' CD ' HG11 ' A' ' 23' ' ' VAL . 6.2 mm-40 -44.76 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.03 111.36 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.83 -11.65 5.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.88 136.95 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -105.8 164.39 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -57.68 -27.76 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -42.86 79.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 m-20 -70.27 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.666 ' HB2' HD13 ' A' ' 54' ' ' LEU . 11.9 m170 -59.23 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.34 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HA ' HD23 ' A' ' 62' ' ' LEU . 6.9 mmt180 -66.22 -38.55 88.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.777 HD22 ' CB ' ' A' ' 20' ' ' HIS . 8.6 tp -61.87 -51.45 68.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.51 -48.06 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.18 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -73.52 -41.72 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.997 HD22 HG13 ' A' ' 13' ' ' VAL . 4.1 mt -70.92 -35.39 72.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' GLY . 46.3 mt-10 -66.26 -26.26 67.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.32 -51.02 18.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -65.92 -42.35 90.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.727 HD13 HG21 ' A' ' 72' ' ' VAL . 1.6 mt -81.42 -15.46 55.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.82 21.69 2.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 72' ' ' VAL . 21.2 m -145.06 150.87 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -39.78 127.81 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 70' ' ' VAL . 39.3 t -133.5 132.51 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -113.44 133.5 55.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.557 HD11 HD12 ' A' ' 64' ' ' LEU . 57.5 mt -120.52 143.01 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 25.4 t -120.44 141.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 85.0 p -106.5 120.7 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' HD21 ' A' ' 45' ' ' LEU . 7.5 mt-10 -40.6 -38.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -62.16 -51.28 68.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 -19.19 67.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 80' ' ' LEU . 4.5 mt -67.85 173.53 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -105.32 168.43 8.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 -45.29 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.85 -25.57 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 44.0 mt -83.41 -44.95 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 46.0 ttt180 -52.26 -50.61 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.38 -40.91 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -72.05 -36.22 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.527 HG13 ' CG ' ' A' ' 28' ' ' PHE . 41.7 t -62.93 -46.09 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.45 -43.07 75.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -54.0 -23.66 14.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.959 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.9 mm-40 -104.24 -39.62 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.47 127.57 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.002 HG12 ' HB1' ' A' ' 32' ' ' ALA . 1.8 pp -134.74 148.17 66.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 140.89 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 0' ' ' HIS . 13.6 m 68.8 154.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' -1' ' ' SER . 2.3 t-80 90.21 7.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.586 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.544 ' SD ' HD21 ' A' ' 6' ' ' LEU . 1.6 ttm -40.01 124.3 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' HD22 ' A' ' 6' ' ' LEU . 21.1 m-20 -128.75 152.55 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.676 HD21 ' HA2' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -56.17 -46.2 79.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.63 -37.64 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 m -78.71 -33.38 46.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD21 ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -54.67 -39.84 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.1 -31.92 67.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -60.61 -52.6 64.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -76.0 -33.73 59.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.955 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -56.84 -33.73 67.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -47.7 59.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.48 -39.85 67.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 9' ' ' ARG . 52.4 t -59.47 -37.45 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.955 HD12 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -66.24 -42.22 88.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.01 -43.94 97.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.698 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.3 pp -75.35 -35.49 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.742 ' SG ' HD11 ' A' ' 60' ' ' LEU . 1.4 m -59.08 -40.91 86.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.98 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 77.6 m-70 -67.71 -36.59 80.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.17 57.01 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -131.31 108.12 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' N ' ' A' ' 24' ' ' ARG . 18.0 m -93.18 -53.41 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.544 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -74.38 62.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG11 ' HG ' ' A' ' 14' ' ' LEU . 3.4 t -82.63 93.61 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' CB ' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -142.91 156.07 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 t -101.48 125.26 55.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.631 ' CG ' HG13 ' A' ' 88' ' ' VAL . 2.8 p90 -125.23 134.51 52.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.96 -158.58 17.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -30.04 63.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.895 HG11 ' CD1' ' A' ' 42' ' ' LEU . 77.6 t -57.86 -49.37 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.72 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -59.97 -31.9 70.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -9.25 59.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.676 ' HA2' HD21 ' A' ' 3' ' ' LEU . . . 91.35 39.71 5.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.8 mm-40 -134.01 126.39 30.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 169.76 114.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -175.11 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -77.96 -1.22 30.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -121.23 12.79 11.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.0 t -101.88 165.92 10.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.75 167.92 9.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.895 ' CD1' HG11 ' A' ' 31' ' ' VAL . 44.0 tp -111.15 110.24 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 70.5 m-20 -90.47 119.23 30.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.475 HD21 ' NH1' ' A' ' 10' ' ' ARG . 1.1 mp -129.25 125.77 37.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 1.3 tm? -104.8 112.48 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.55 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -123.67 155.31 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -119.81 120.46 36.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.776 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 99.1 m-85 -92.61 125.8 37.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -66.82 -155.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.49 144.55 25.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.01 -22.95 35.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -76.83 130.54 37.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -118.04 174.06 6.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.62 -27.81 51.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -54.2 -43.02 70.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -70.81 -36.3 72.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.776 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.0 m170 -60.41 -52.01 67.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 61' ' ' LYS . . . -60.22 -41.16 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -63.84 -38.61 91.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.742 HD11 ' SG ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -74.89 -42.75 57.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.98 -40.74 96.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -73.7 -37.42 65.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' N ' HD12 ' A' ' 62' ' ' LEU . . . -67.95 -36.3 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.67 ' CD2' HG13 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -67.48 -46.07 74.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 24.8 mt-10 -64.01 -31.88 73.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 -50.6 11.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.32 -44.92 90.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.687 HD21 HH21 ' A' ' 10' ' ' ARG . 7.8 mp -82.55 -13.2 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 51.97 20.05 5.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 72' ' ' VAL . 17.7 m -143.3 153.01 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -46.04 133.23 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 70' ' ' VAL . 72.8 t -133.99 125.75 49.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -104.79 118.23 36.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.55 HG23 ' CG2' ' A' ' 46' ' ' VAL . 78.8 mt -107.47 144.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.495 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 21.8 t -130.31 146.54 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 p -105.39 127.67 53.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.579 ' OE2' HD21 ' A' ' 89' ' ' LEU . 4.6 mt-10 -47.48 -37.49 11.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -58.88 -73.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.32 -27.93 4.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.122 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.7 mt -55.4 -175.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.891 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -111.32 168.36 7.71 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.95 -44.34 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -78.38 -24.84 46.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.025 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.0 OUTLIER -83.37 -48.28 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 25.9 ttt180 -52.83 -50.8 62.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 89' ' ' LEU . 42.7 mt-10 -55.09 -42.61 73.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.26 -36.63 69.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 84' ' ' LEU . 60.3 t -61.93 -44.05 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 86' ' ' GLU . 6.5 mt -56.25 -47.28 78.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -53.69 -23.54 11.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.327 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.656 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.9 mm-40 -99.55 -39.08 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 26' ' ' ARG . . . -47.08 127.84 10.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.72 HG12 ' HB1' ' A' ' 32' ' ' ALA . 1.2 pp -126.07 123.97 24.54 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.412 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.5 Cg_endo -74.97 115.12 4.19 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.784 HD13 ' HG2' ' A' ' 10' ' ' ARG . 1.7 tt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.6 m -140.88 112.52 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -173.1 98.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.621 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.531 ' CG ' HD21 ' A' ' 6' ' ' LEU . 1.9 ttm -176.37 86.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 6' ' ' LEU . 63.1 m-20 -98.22 154.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.465 HD11 ' HA3' ' A' ' 34' ' ' GLY . 1.8 mm? -54.27 -46.29 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -59.72 -38.05 80.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 2.4 m -76.22 -30.41 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.8 OUTLIER -54.46 -39.53 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -74.31 -41.83 60.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.29 66.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -33.83 76.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.95 -48.08 80.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.23 -46.49 88.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -70.44 -36.38 73.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.719 HG21 HD11 ' A' ' 68' ' ' LEU . 11.4 t -66.45 -34.46 70.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -65.13 -41.48 94.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -45.65 90.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.4 pp -73.6 -37.95 65.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.699 ' N ' HD12 ' A' ' 16' ' ' LEU . 1.9 m -58.99 -37.19 76.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.21 -47.68 78.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -73.9 -18.49 60.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.867 ' HB3' HD22 ' A' ' 60' ' ' LEU . 10.1 m-70 -86.61 5.14 37.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 80.69 56.21 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -134.32 116.57 15.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 0.773 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -107.92 -39.64 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 2.2 mmt85 -84.27 53.41 2.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.441 HG21 HD13 ' A' ' 14' ' ' LEU . 4.3 m -66.19 105.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.68 155.23 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.47 116.58 50.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CG ' HG13 ' A' ' 88' ' ' VAL . 9.2 p90 -122.96 147.31 46.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 114.54 -163.8 12.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -33.65 74.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.82 HG22 ' HB2' ' A' ' 36' ' ' ALA . 16.2 t -59.14 -33.71 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.2 -39.21 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -17.85 50.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.465 ' HA3' HD11 ' A' ' 3' ' ' LEU . . . 102.8 25.28 7.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 4.1 tp10 -124.68 130.4 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.82 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -175.68 105.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.58 160.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -83.35 -0.73 51.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.38 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.07 176.6 5.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.65 170.34 9.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.977 HD11 HD13 ' A' ' 44' ' ' LEU . 1.2 tp -115.48 119.88 37.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.643 ' N ' HD12 ' A' ' 42' ' ' LEU . 1.4 m-20 -86.41 112.57 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.977 HD13 HD11 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -132.04 125.52 31.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.672 ' CD1' HD12 ' A' ' 80' ' ' LEU . 13.9 tp -102.21 115.78 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.03 159.68 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -122.79 120.69 34.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 85.1 m-85 -91.38 132.72 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.27 -172.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -82.15 147.9 28.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.09 -6.23 61.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -94.66 159.23 15.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 65.0 p -139.47 172.93 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.69 -33.74 68.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -40.57 70.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -36.84 72.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.643 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 12.5 m170 -58.75 -51.79 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.83 79.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.859 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.4 mtm-85 -63.75 -38.4 90.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.867 HD22 ' HB3' ' A' ' 20' ' ' HIS . 8.0 tp -74.25 -45.27 49.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -58.02 -38.27 75.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.859 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -70.51 -34.89 72.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.76 74.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD21 HD11 ' A' ' 60' ' ' LEU . 2.5 mt -71.43 -37.8 71.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 12.2 mt-10 -58.86 -33.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.64 -50.57 11.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.51 -45.8 74.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.269 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.74 ' O ' HG22 ' A' ' 70' ' ' VAL . 3.6 mp -80.85 -6.86 59.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.492 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 38.64 28.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 68' ' ' LEU . 22.0 m -156.43 156.86 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.1 ttt85 -38.75 140.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 110.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.64 HG11 ' HB2' ' A' ' 64' ' ' LEU . 58.7 t -133.74 131.36 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.67 110.66 16.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.532 HG23 ' CG2' ' A' ' 46' ' ' VAL . 27.8 mt -99.95 144.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.474 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 45.6 t -127.3 145.02 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 79' ' ' GLY . 59.5 p -107.86 121.82 45.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' SER . 6.4 mt-10 -38.31 -46.82 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.59 -48.98 68.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -64.73 -35.84 92.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD12 ' CD1' ' A' ' 45' ' ' LEU . 4.3 mt -55.73 178.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -113.67 170.96 4.78 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.03 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.76 -25.26 44.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.895 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.8 mp -83.43 -48.69 10.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.622 ' HD3' HD11 ' A' ' 89' ' ' LEU . 5.2 ttm180 -53.31 -50.78 64.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' HD12 ' A' ' 89' ' ' LEU . 20.8 mt-10 -54.96 -42.94 72.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -72.19 -36.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 84' ' ' LEU . 53.6 t -62.76 -46.16 97.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.622 HD11 ' HD3' ' A' ' 85' ' ' ARG . 10.2 mt -55.82 -42.43 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -23.86 22.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.679 ' O ' HG23 ' A' ' 93' ' ' ILE . 14.9 mm-40 -102.15 -47.81 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -43.61 141.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 91' ' ' GLU . 48.2 pt -140.8 126.18 11.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.511 HD22 ' HB3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 m -82.43 80.51 8.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.992 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -171.76 137.96 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.587 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.83 ' HE1' HD21 ' A' ' 6' ' ' LEU . 8.8 ptm -162.97 173.84 13.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.511 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.8 m-20 -157.33 157.2 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.702 HD11 ' HA2' ' A' ' 34' ' ' GLY . 3.2 mm? -58.56 -45.45 88.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.82 -44.38 96.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.19 -37.33 84.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.83 HD21 ' HE1' ' A' ' 1' ' ' MET . 0.8 OUTLIER -57.69 -40.79 80.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.9 mmt180 -64.16 -41.78 97.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.93 63.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -69.74 -30.63 68.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.828 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.95 -45.63 78.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.65 -44.83 85.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB3' HD11 ' A' ' 67' ' ' LEU . . . -71.92 -36.15 69.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 68' ' ' LEU . 19.5 t -68.8 -34.34 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.803 HD13 HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.22 -42.07 89.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -46.03 87.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.3 pp -73.32 -36.25 66.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.66 ' N ' HD12 ' A' ' 16' ' ' LEU . 2.1 m -58.04 -40.61 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.333 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.52 77.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.15 -32.86 63.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.735 ' CB ' HD22 ' A' ' 60' ' ' LEU . 81.8 m-70 -82.12 5.34 19.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.568 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 84.75 69.43 1.37 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -140.82 112.38 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -107.41 -40.68 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.447 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -84.84 50.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.803 HG21 HD13 ' A' ' 14' ' ' LEU . 2.8 p -65.99 105.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.8 OUTLIER -152.41 155.38 37.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.415 HG13 HG12 ' A' ' 93' ' ' ILE . 5.6 p -114.8 114.62 47.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.658 ' HB3' ' HB2' ' A' ' 92' ' ' ALA . 9.0 p90 -121.76 147.92 45.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.41 -171.57 14.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 p -58.07 -34.01 69.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.777 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.677 HG11 ' HA ' ' A' ' 42' ' ' LEU . 27.3 m -59.8 -40.13 81.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.34 -33.47 69.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -90.04 8.71 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.702 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 73.94 45.98 24.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.591 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 7.3 mm-40 -133.07 126.98 33.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . 170.66 91.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 36' ' ' ALA . 4.1 ptp180 -52.06 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -10.54 59.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.19 29.88 7.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.2 t -112.07 166.8 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.042 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.67 171.27 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.127 HD11 HD13 ' A' ' 44' ' ' LEU . 1.5 tm? -112.3 120.0 40.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.449 ' N ' HD13 ' A' ' 42' ' ' LEU . 14.4 m-20 -98.11 114.21 26.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.127 HD13 HD11 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -129.61 125.1 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.649 HD11 ' HG2' ' A' ' 77' ' ' GLU . 7.9 tp -100.5 113.34 26.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.598 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.4 OUTLIER -130.68 159.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.59 121.94 36.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 71.7 m-85 -92.2 126.55 37.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.59 -174.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.33 150.65 29.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.16 -6.94 72.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -95.62 139.49 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 110.33 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.9 p -116.09 168.9 9.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -29.43 63.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.18 -42.26 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.07 -36.96 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.599 ' NE2' ' CG ' ' A' ' 48' ' ' PHE . 23.7 m170 -59.8 -48.12 82.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.4 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.689 ' HA ' HD23 ' A' ' 62' ' ' LEU . 6.3 mtt180 -68.69 -34.91 76.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.735 HD22 ' CB ' ' A' ' 20' ' ' HIS . 1.8 tp -66.66 -46.11 76.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -64.26 -39.96 95.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -67.34 -36.78 82.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.06 68.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.621 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -69.16 -48.86 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 69' ' ' GLY . 57.2 mt-10 -60.49 -27.43 67.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.8 -52.19 12.85 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.523 HD11 ' HB3' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -70.16 -41.71 73.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.872 HD22 HG21 ' A' ' 72' ' ' VAL . 7.5 mp -79.95 -13.12 59.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 41.73 24.95 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 68' ' ' LEU . 26.0 m -148.29 156.28 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.97 131.86 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.872 HG21 HD22 ' A' ' 68' ' ' LEU . 2.7 t -133.84 136.16 54.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.21 110.8 16.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.598 HG23 ' CG2' ' A' ' 46' ' ' VAL . 61.5 mt -96.16 145.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.496 HG12 HD13 ' A' ' 45' ' ' LEU . 2.1 t -121.76 141.99 39.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 79' ' ' GLY . 6.0 p -110.63 121.09 44.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.649 ' HG2' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.74 -46.68 88.4 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.46 -36.56 54.54 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.08 139.99 56.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -80.52 172.03 10.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.94 -43.22 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.48 -26.58 55.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.018 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.1 mp -81.6 -38.63 25.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.523 ' HG2' HD11 ' A' ' 89' ' ' LEU . 33.4 ttm180 -53.5 -50.47 65.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.02 -41.99 72.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -71.8 -36.61 70.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.018 HG23 ' O ' ' A' ' 84' ' ' LEU . 48.7 t -64.52 -48.8 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.523 HD11 ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -57.62 -40.75 79.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -24.16 15.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.588 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.6 mm-40 -105.8 -40.65 5.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -54.46 132.15 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 91' ' ' GLU . 32.9 pt -126.46 133.23 24.77 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.03 113.72 3.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.828 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.0 t -67.17 145.66 55.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -148.5 19.92 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.545 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.844 ' HG2' HD11 ' A' ' 6' ' ' LEU . 1.8 ttm -85.58 132.92 34.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 6' ' ' LEU . 8.2 m-20 -126.34 158.18 36.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.9 mm? -63.24 -47.18 83.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.56 -41.67 97.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 0.0 110.366 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -74.77 -33.46 62.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.844 HD11 ' HG2' ' A' ' 1' ' ' MET . 0.3 OUTLIER -57.28 -35.84 70.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -69.78 -40.11 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.92 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.875 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.11 -36.61 82.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.664 ' HD3' HD13 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -60.68 -44.75 96.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.24 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.11 -45.87 89.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.55 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 9' ' ' ARG . 54.6 t -68.05 -36.84 76.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.46 -42.88 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -34.7 74.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.006 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -75.37 -41.6 56.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.971 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.83 -41.44 86.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.43 77.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -38.78 77.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.527 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 11.5 m-70 -67.64 -36.83 81.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.568 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 128.04 41.72 0.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -114.24 110.83 20.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG23 ' N ' ' A' ' 24' ' ' ARG . 18.2 m -91.42 -52.96 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.529 ' N ' HG23 ' A' ' 23' ' ' VAL . 8.5 mmt-85 -78.09 85.82 4.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CB ' HD13 ' A' ' 14' ' ' LEU . 3.4 m -89.73 103.75 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.54 156.13 38.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG23 HD12 ' A' ' 44' ' ' LEU . 2.3 p -122.71 125.16 72.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.77 ' CG ' HG13 ' A' ' 88' ' ' VAL . 6.1 p90 -123.07 148.59 45.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.98 -165.19 16.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.9 p -69.69 -36.91 76.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.885 HG22 ' HB2' ' A' ' 36' ' ' ALA . 90.3 t -58.23 -33.12 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' O ' HD11 ' A' ' 93' ' ' ILE . . . -53.58 -39.99 65.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -17.96 48.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.89 37.03 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.1 mm-40 -122.61 129.63 52.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 169.69 109.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -82.76 -0.39 47.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.65 29.21 4.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.9 t -103.13 164.81 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -102.13 161.71 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 HD13 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -114.48 119.67 37.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.518 ' N ' HD22 ' A' ' 42' ' ' LEU . 11.8 m-20 -98.63 125.42 43.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.8 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.81 125.41 35.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.691 ' HG ' HG11 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -99.59 112.38 24.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.66 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.42 159.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB2' ' CD ' ' A' ' 77' ' ' GLU . . . -123.56 120.08 31.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 98.9 m-85 -93.06 129.57 38.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' CD ' HG11 ' A' ' 23' ' ' VAL . 9.1 mm-40 -53.71 -171.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.77 16.73 10.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.42 34.1 2.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.44 1.087 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 29.2 mmt180 -131.12 159.36 37.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.542 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 56.2 p -128.93 168.97 15.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER -60.87 -32.35 71.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -43.25 72.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' OD1' ' ND1' ' A' ' 20' ' ' HIS . 8.7 t0 -70.51 -36.46 73.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 14.1 m170 -58.62 -51.89 67.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.759 ' O ' HD12 ' A' ' 62' ' ' LEU . . . -66.48 -39.77 88.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -62.58 -34.27 76.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.841 HD11 ' SG ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -71.12 -35.14 71.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -66.45 -37.01 84.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.759 HD12 ' O ' ' A' ' 58' ' ' ALA . 2.7 mp -66.61 -30.8 71.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.006 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -72.73 -45.05 60.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.715 HD22 HG13 ' A' ' 13' ' ' VAL . 1.9 mt -64.37 -41.79 96.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.469 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 3.2 mt-10 -60.46 -36.26 77.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.66 -51.07 9.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD22 ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.45 -45.67 86.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.263 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.647 HD11 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -81.52 -13.45 58.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.469 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 50.24 20.23 3.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 68' ' ' LEU . 19.9 m -142.17 164.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.237 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -55.01 138.6 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.714 HG13 HD12 ' A' ' 42' ' ' LEU . 81.8 t -133.2 139.48 49.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -121.8 111.57 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.66 HG23 ' CG2' ' A' ' 46' ' ' VAL . 56.1 mt -101.78 144.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.5 t -135.66 145.42 31.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 p -107.85 130.02 55.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.523 ' CD ' ' HB2' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -48.3 -41.48 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -23.55 67.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -96.22 -16.18 38.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 2.6 mt -74.15 -178.8 3.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.784 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -104.8 166.11 12.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.05 -44.41 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -77.85 -26.59 49.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.784 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -83.79 -40.51 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 16.1 ttt-85 -52.76 -50.11 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -53.68 -38.39 64.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.9 -34.94 69.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.77 HG13 ' CG ' ' A' ' 28' ' ' PHE . 97.8 t -71.95 -34.27 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 95.5 mt -64.2 -51.67 62.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 12.9 ptm180 -66.03 -40.54 91.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 93' ' ' ILE . 64.2 mm-40 -70.26 -55.95 7.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 88' ' ' VAL . . . -39.75 158.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 91' ' ' GLU . 44.4 pt -147.83 133.49 9.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.05 114.42 4.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD13 ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.8 m -50.65 139.72 15.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 110.011 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.7 -161.65 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.4 OUTLIER 54.49 97.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.523 ' O ' HD22 ' A' ' 6' ' ' LEU . 6.3 m-20 -107.43 166.3 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.831 HD21 ' HA3' ' A' ' 34' ' ' GLY . 1.9 mp -69.78 -45.22 68.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.92 -43.95 63.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -72.8 -33.15 66.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -60.83 -34.59 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -72.03 -41.14 67.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.275 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -52.09 65.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.549 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -65.04 -33.34 75.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.756 HH12 HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.64 -35.22 77.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 110.255 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -70.36 -47.84 59.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.71 -35.79 72.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 9' ' ' ARG . 12.7 t -67.44 -36.54 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -59.08 -43.42 91.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.5 t -67.92 -35.53 78.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.96 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.96 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.99 -41.09 52.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.96 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -58.25 -30.84 66.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.07 -33.46 70.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.26 -18.88 61.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CB ' ' HG ' ' A' ' 60' ' ' LEU . 77.0 m-70 -98.27 -34.57 10.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.568 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.616 ' O ' ' CD1' ' A' ' 48' ' ' PHE . . . 123.64 75.81 0.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.807 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -145.76 103.24 3.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.25 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.9 m -101.98 -36.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 28.6 mmt180 -83.34 49.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG11 HD13 ' A' ' 14' ' ' LEU . 3.3 m -66.6 101.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 25.6 mtm-85 -152.07 155.22 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.756 HG21 HH12 ' A' ' 10' ' ' ARG . 3.1 t -111.55 125.51 68.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 3.7 p90 -124.45 137.18 54.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.67 -162.2 12.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -31.24 66.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.01 HG12 ' HB2' ' A' ' 36' ' ' ALA . 20.6 m -58.14 -45.01 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.884 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.12 -32.48 47.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -18.52 37.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.831 ' HA3' HD21 ' A' ' 3' ' ' LEU . . . 106.99 31.39 3.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -123.35 126.4 46.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 1.01 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -175.64 111.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.81 160.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -80.38 -3.63 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -127.92 7.3 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.35 -172.93 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.2 167.06 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.836 HD11 HD13 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -108.37 118.38 36.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.712 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.2 m-20 -83.96 122.96 29.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.836 HD13 HD11 ' A' ' 42' ' ' LEU . 2.6 tp -132.83 125.31 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.863 HD11 ' HG2' ' A' ' 77' ' ' GLU . 10.4 tp -96.13 116.98 29.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.47 ' CG2' ' CG2' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -135.49 156.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . . . -124.16 122.31 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 96.2 m-85 -92.85 122.79 35.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.18 -172.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.75 150.35 29.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 101.12 -34.53 5.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -77.7 158.3 29.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.767 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.539 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 71.7 p -136.41 174.04 11.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.23 -30.44 66.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -44.31 75.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -70.14 -37.01 75.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.587 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.2 m170 -62.1 -38.06 87.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.57 95.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.371 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.629 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -65.86 -36.74 84.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.928 HD21 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.24 -45.69 90.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.76 -44.4 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -65.41 -35.54 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.39 -37.87 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 60' ' ' LEU . 1.7 mt -69.01 -36.72 78.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 69' ' ' GLY . 33.9 mt-10 -63.92 -29.25 70.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.74 -50.57 13.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.479 HD13 ' CG2' ' A' ' 13' ' ' VAL . 6.7 mt -65.8 -43.25 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' CD2' ' HD2' ' A' ' 9' ' ' ARG . 11.2 mt -82.28 -14.77 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.23 18.45 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.496 HG21 ' SD ' ' A' ' 1' ' ' MET . 13.1 m -146.94 164.78 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -50.3 136.27 20.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 70' ' ' VAL . 2.5 t -133.6 140.45 46.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 42' ' ' LEU . 3.5 t70 -122.17 114.29 20.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.47 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 60.0 mt -102.81 142.34 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 HG11 HD21 ' A' ' 80' ' ' LEU . 2.5 t -117.09 144.58 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 78' ' ' ARG . 12.7 p -114.97 120.55 40.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.863 ' HG2' HD11 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -38.4 -30.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -59.59 -51.79 68.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -66.15 -38.58 94.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.58 HD13 HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -55.64 136.53 50.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.952 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -70.54 165.76 42.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.0 -43.65 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.52 -25.01 49.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.952 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -82.99 -36.45 25.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.522 ' HD3' HD11 ' A' ' 89' ' ' LEU . 7.3 ttm180 -52.75 -50.82 62.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.817 ' HA ' HD12 ' A' ' 89' ' ' LEU . 1.1 tt0 -54.14 -42.87 70.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.35 -36.74 68.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 80' ' ' LEU . 39.6 t -64.85 -40.61 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 86' ' ' GLU . 8.9 mt -56.2 -45.92 79.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -23.31 9.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 93' ' ' ILE . 18.2 mm-40 -103.8 -26.53 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -59.72 123.42 16.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.884 HG12 ' HB1' ' A' ' 32' ' ' ALA . 2.2 pp -121.0 144.25 38.83 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.1 Cg_endo -75.03 145.16 31.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 95' ' ' LEU . 1.9 tm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 31.4 m 40.54 79.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 0.731 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -178.04 137.3 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.618 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.05 ' CE ' HD11 ' A' ' 6' ' ' LEU . 6.3 ptm -166.2 164.49 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.783 ' O ' HD13 ' A' ' 6' ' ' LEU . 6.3 m-20 -164.74 -176.23 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.593 HD21 ' CA ' ' A' ' 34' ' ' GLY . 1.7 mp -69.3 -46.33 67.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -46.31 69.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.14 -34.39 72.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.05 HD11 ' CE ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -57.48 -39.17 75.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -45.36 64.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.49 73.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.078 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.1 -30.85 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -55.33 -46.72 76.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.53 -43.8 93.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.52 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.078 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 9.9 t -67.15 -36.04 75.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.2 -38.62 91.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.03 -42.9 96.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 64' ' ' LEU . 4.3 pp -75.91 -31.67 59.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.58 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -56.61 -42.47 78.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 108.326 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -69.18 -33.06 72.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -73.76 -36.92 65.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.909 ' HB2' HD22 ' A' ' 60' ' ' LEU . 96.8 m-70 -84.79 5.34 28.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.49 72.29 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.542 1.151 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -140.61 108.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.553 HG23 ' N ' ' A' ' 24' ' ' ARG . 17.3 m -97.19 -54.33 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.553 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -75.87 75.21 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.551 HG11 HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -85.99 112.1 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.352 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -151.77 155.18 37.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -120.71 114.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.738 ' CD2' HG13 ' A' ' 88' ' ' VAL . 19.6 p90 -122.36 147.99 45.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 119.71 -165.72 13.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -34.82 70.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 0.789 . . . . 0.0 109.944 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.717 HG21 HD23 ' A' ' 42' ' ' LEU . 36.7 t -62.53 -34.98 67.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -58.34 -41.35 84.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -2.21 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.593 ' CA ' HD21 ' A' ' 3' ' ' LEU . . . 83.89 31.94 25.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 3.6 tp10 -125.17 127.8 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -159.86 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.57 -179.93 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -88.05 -0.68 57.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -106.91 -7.21 17.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.0 m -112.76 -179.01 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.6 173.42 8.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.02 HD12 HG13 ' A' ' 72' ' ' VAL . 1.4 tm? -102.18 123.36 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -102.3 116.85 33.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.969 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -129.88 126.09 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD22 ' CD1' ' A' ' 80' ' ' LEU . 6.9 tp -98.36 115.22 27.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -127.64 158.16 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -128.13 120.33 27.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.719 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 88.4 m-85 -93.12 124.17 36.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' OE2' HG11 ' A' ' 23' ' ' VAL . 1.9 mm-40 -61.69 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.71 145.59 25.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.87 -20.5 46.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' HE ' ' N ' ' A' ' 52' ' ' ARG . 2.3 mmp_? -76.7 126.23 30.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 0.806 . . . . 0.0 110.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.4 p -109.78 174.08 6.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -27.13 58.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.41 -44.52 72.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -71.21 -36.97 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.719 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 8.5 m170 -65.53 -50.2 66.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.552 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.14 82.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.55 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.8 mtm180 -68.93 -35.5 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.909 HD22 ' HB2' ' A' ' 20' ' ' HIS . 1.3 tp -66.17 -48.2 71.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.32 -41.98 97.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -71.88 -33.76 68.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . -68.97 -37.53 78.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 16' ' ' LEU . 1.2 mt -70.79 -40.68 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' GLY . 58.0 mt-10 -71.56 -27.13 62.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.79 -45.51 34.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -63.94 -45.83 87.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.942 ' O ' HG13 ' A' ' 70' ' ' VAL . 41.6 mt -85.27 -10.09 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.46 19.34 4.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.942 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.4 m -127.86 -171.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HA ' ' OE2' ' A' ' 65' ' ' GLU . 8.4 mmt180 -84.55 132.81 34.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.02 HG13 HD12 ' A' ' 42' ' ' LEU . 51.4 t -133.74 145.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -119.04 113.29 20.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.48 HG23 ' CG2' ' A' ' 46' ' ' VAL . 6.9 mt -99.03 144.2 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.505 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.6 t -131.16 145.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 79' ' ' GLY . 62.1 p -109.47 123.91 50.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -42.6 -51.98 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -34.19 56.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -83.13 -20.17 61.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.658 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.0 mt -70.33 -174.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.93 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -113.74 170.25 5.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -44.49 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -78.88 -24.39 44.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.93 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 3.4 mp -82.52 -46.93 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 89' ' ' LEU . 20.9 ttm180 -53.1 -50.09 65.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.75 -41.07 85.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -71.88 -36.59 70.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.738 HG13 ' CD2' ' A' ' 28' ' ' PHE . 54.3 t -64.0 -50.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 7.1 mt -56.53 -38.42 71.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -26.75 25.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.622 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.7 mm-40 -106.21 -44.28 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.622 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -43.76 140.91 1.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 91' ' ' GLU . 30.9 pt -139.57 128.8 13.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.64 4.07 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.494 HD13 ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' -1' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' -2' ' ' GLY . 44.7 m 39.41 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 1' ' ' MET . 15.9 t-160 -175.4 133.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.583 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 0.0 OUTLIER -178.38 111.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 9.7 m-20 -103.6 145.78 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.09 -45.9 71.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -56.36 -41.54 76.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -73.48 -31.74 63.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.579 HD13 ' HD3' ' A' ' 9' ' ' ARG . 1.5 mm? -55.61 -35.7 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -43.45 57.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.47 -52.33 66.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.772 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -66.7 -34.86 78.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' O ' HD23 ' A' ' 14' ' ' LEU . 4.4 mtt-85 -66.31 -31.86 72.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -46.77 63.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.72 -36.59 70.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 9' ' ' ARG . 54.8 t -67.21 -35.04 73.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.838 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.62 -43.63 97.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -36.55 80.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.046 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.895 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.23 -39.52 59.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.895 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -55.67 -43.05 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.276 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -32.58 70.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -18.87 62.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 1.026 ' HB2' HD22 ' A' ' 60' ' ' LEU . 95.8 m-70 -100.0 6.65 45.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.627 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 91.08 -14.04 64.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.28 138.22 55.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -139.03 -47.84 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -69.31 58.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.838 HG21 ' CD1' ' A' ' 14' ' ' LEU . 24.7 m -67.58 104.66 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.62 154.79 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 44' ' ' LEU . 2.0 t -112.28 122.12 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.568 ' CD1' HG13 ' A' ' 88' ' ' VAL . 4.4 p90 -124.95 134.26 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.39 -160.33 14.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -30.98 64.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.952 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.794 HG11 ' HA ' ' A' ' 42' ' ' LEU . 29.5 m -57.26 -48.44 82.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.27 -35.55 60.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.86 6.45 24.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.67 48.8 11.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.137 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.9 mp0 -131.45 125.0 31.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 169.34 104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -166.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.17 17.95 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -151.3 22.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.17 173.56 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.27 151.75 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.794 ' HA ' HG11 ' A' ' 31' ' ' VAL . 51.6 tp -102.23 110.14 22.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.665 ' O ' HD12 ' A' ' 44' ' ' LEU . 1.2 m-20 -91.4 119.62 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 43' ' ' ASP . 3.6 mp -132.01 125.66 32.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.627 HD22 HG11 ' A' ' 88' ' ' VAL . 9.7 tp -102.71 112.54 25.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.733 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -129.72 159.45 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -125.79 128.87 48.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.769 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 41.9 m-85 -90.39 115.94 27.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 16.1 pt-20 -79.63 -143.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.2 mt-10 -90.56 140.46 29.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 94.59 38.63 4.92 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.628 ' CD ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -132.38 159.28 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 p -141.59 165.12 28.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -58.26 -42.98 87.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -40.64 71.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -38.22 72.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.769 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 24.9 m170 -59.52 -51.23 70.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.587 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.59 86.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' NH1' HD21 ' A' ' 62' ' ' LEU . 13.5 mtt-85 -63.38 -34.2 77.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.026 HD22 ' HB2' ' A' ' 20' ' ' HIS . 3.6 tp -62.4 -37.99 87.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 6.5 tptp -64.71 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.481 HD21 ' NH1' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -65.7 -40.83 92.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.755 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.53 -37.16 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.833 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -70.29 -33.46 71.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 19.0 mt-10 -67.6 -32.21 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.31 -51.22 13.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 13' ' ' VAL . 2.4 mt -66.2 -45.29 81.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.733 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -82.76 -4.58 58.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.5 ' C ' HG13 ' A' ' 70' ' ' VAL . . . 39.64 28.03 0.12 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 68' ' ' LEU . 22.2 m -156.37 154.54 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -44.76 136.61 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.716 HG13 HD23 ' A' ' 42' ' ' LEU . 5.8 t -133.32 143.61 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -120.02 110.36 16.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.833 HD11 ' HG ' ' A' ' 64' ' ' LEU . 14.0 mt -104.98 145.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 17.6 t -134.81 144.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 p -104.66 120.87 42.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -41.33 -44.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.7 64.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.66 -33.52 66.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mt -56.29 172.64 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.94 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -106.75 170.84 5.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.04 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -79.3 -24.62 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -83.45 -49.34 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 17.5 ttm180 -53.88 -50.28 66.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -54.51 -40.9 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -71.89 -36.63 70.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 84' ' ' LEU . 39.9 t -63.09 -45.71 97.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 18.4 mt -55.88 -38.86 70.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -25.24 11.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.724 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.7 mm-40 -110.18 -29.6 8.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -51.86 124.69 13.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.724 HG23 ' O ' ' A' ' 91' ' ' GLU . 22.6 pt -122.99 142.73 38.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -74.98 134.02 17.33 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.821 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.0 m 44.72 76.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.429 ' O ' ' CB ' ' A' ' 1' ' ' MET . 22.0 t60 -171.23 130.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HG3' HD21 ' A' ' 6' ' ' LEU . 5.2 ttm 165.96 105.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.532 ' O ' HD22 ' A' ' 6' ' ' LEU . 14.9 m-20 -116.46 160.4 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.33 -47.63 75.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -54.09 -40.42 67.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 1.3 m -76.59 -30.86 57.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.548 HD13 ' HD3' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.66 -35.85 63.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -43.57 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -52.57 64.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.741 ' NH1' HD21 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -64.17 -32.97 74.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.755 ' NH2' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -60.44 -48.74 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.92 -47.58 85.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -69.78 -36.1 75.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.728 HG23 HD22 ' A' ' 67' ' ' LEU . 16.0 t -68.61 -34.58 65.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.686 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -64.97 -42.51 94.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t -62.79 -46.22 89.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.2 pp -73.01 -35.44 66.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.633 ' N ' HD12 ' A' ' 16' ' ' LEU . 1.3 m -58.45 -42.07 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.31 -41.98 84.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -73.71 -18.7 60.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.859 ' HB3' HD22 ' A' ' 60' ' ' LEU . 8.6 m-70 -83.75 -34.61 24.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 135.3 -7.96 4.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -80.12 118.53 21.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.685 HG11 ' CD ' ' A' ' 49' ' ' GLU . 15.4 m -98.63 -49.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' N ' HG23 ' A' ' 23' ' ' VAL . 8.2 mtt180 -96.07 86.67 4.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.686 HG11 HD22 ' A' ' 14' ' ' LEU . 1.9 t -92.66 113.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 94' ' ' PRO . 1.1 mtt180 -145.78 155.79 43.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.641 HG11 HG12 ' A' ' 31' ' ' VAL . 2.0 t -102.64 124.23 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 3.1 p90 -124.11 133.61 53.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.97 -150.64 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.6 m -74.03 -31.57 62.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 42' ' ' LEU . 55.7 t -58.61 -38.87 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -53.19 -43.32 67.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -79.54 -18.21 52.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.63 4.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.702 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 8.1 mt-10 -126.59 131.33 51.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 0.799 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 162.32 161.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 40' ' ' SER . 9.4 ptp180 -121.98 -177.5 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -87.55 -7.36 57.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -112.07 15.77 20.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 41' ' ' ASP . 37.0 t -129.53 11.56 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.7 OUTLIER 52.07 173.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.829 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -116.76 117.44 29.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.65 ' N ' HD23 ' A' ' 42' ' ' LEU . 8.6 m-20 -75.95 111.86 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.829 HD13 ' CD2' ' A' ' 42' ' ' LEU . 1.1 tp -131.21 125.42 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.615 HD11 ' CG ' ' A' ' 77' ' ' GLU . 0.8 OUTLIER -104.14 112.39 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.68 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.9 OUTLIER -131.03 159.83 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.15 120.62 34.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.712 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 91.0 m-85 -91.71 129.75 37.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.685 ' CD ' HG11 ' A' ' 23' ' ' VAL . 5.1 mm-40 -63.02 -168.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.6 126.42 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.77 -13.24 20.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -76.3 127.06 32.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 p -111.9 171.14 7.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -28.49 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -41.7 98.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -70.6 -36.95 73.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.712 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 11.9 m170 -61.74 -50.2 73.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.532 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.64 91.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.638 ' HA ' HD23 ' A' ' 62' ' ' LEU . 21.5 mtt-85 -63.49 -38.43 91.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 20' ' ' HIS . 3.9 tp -74.79 -43.61 53.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -61.05 -38.57 86.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -72.93 -34.44 66.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.63 91.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.958 ' HB2' HG11 ' A' ' 72' ' ' VAL . 2.2 mt -72.66 -29.05 63.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 4.3 mt-10 -66.65 -32.6 74.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.91 -50.7 10.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.84 -45.84 87.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.741 HD21 ' NH1' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -81.85 -14.54 56.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 65' ' ' GLU . . . 49.9 17.68 1.62 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 68' ' ' LEU . 14.2 m -138.9 168.39 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -49.97 137.25 17.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.958 HG11 ' HB2' ' A' ' 64' ' ' LEU . 45.6 t -133.74 130.6 56.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -122.61 109.55 14.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.68 HG23 ' CG2' ' A' ' 46' ' ' VAL . 31.4 mt -98.35 145.04 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.256 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 33.4 t -132.48 138.73 51.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 p -100.06 121.06 40.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.958 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.615 ' CG ' HD11 ' A' ' 45' ' ' LEU . 67.4 mt-10 -41.01 -30.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -53.67 46.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.44 -24.01 72.14 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 80' ' ' LEU . 3.8 mt -62.31 -177.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.908 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -109.72 166.56 10.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.94 -45.32 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -79.22 -24.78 42.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.908 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 29.5 mt -83.46 -48.46 10.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 73.1 ttt180 -51.84 -50.09 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.46 -39.93 64.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -71.63 -35.94 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 45' ' ' LEU . 48.3 t -65.75 -43.79 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 37.0 mt -55.54 -47.03 76.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -23.76 9.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.5 mm-40 -100.02 -45.8 5.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.62 137.04 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.0 pp -134.86 121.2 14.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.42 ' N ' ' HG2' ' A' ' 26' ' ' ARG . 18.2 Cg_endo -75.0 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 72.1 p 54.54 83.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -172.53 119.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.75 ' HE2' HD11 ' A' ' 6' ' ' LEU . 1.1 tpt -146.9 87.84 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' HD13 ' A' ' 6' ' ' LEU . 85.8 m-20 -117.98 160.44 21.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.529 HD11 ' HA2' ' A' ' 34' ' ' GLY . 3.4 mm? -63.61 -46.62 84.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.54 -43.85 72.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.443 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -70.17 -33.38 71.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -56.6 -38.29 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.439 ' N ' ' HD2' ' A' ' 7' ' ' ARG . 7.7 mmm-85 -70.12 -42.94 71.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.31 -50.94 70.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.989 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.86 -31.49 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.573 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -63.1 -37.85 88.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.9 -46.97 87.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.67 -35.62 70.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.989 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 5.6 t -66.61 -35.6 75.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.732 ' CD1' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -62.72 -39.57 94.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -44.2 96.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.1 pp -74.13 -31.76 62.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.59 ' SG ' HG11 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -57.75 -42.54 84.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.313 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.486 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.51 -33.56 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -71.21 -41.13 70.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.263 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 74.8 m-70 -67.98 -34.47 76.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' CD ' ' A' ' 52' ' ' ARG . . . 120.97 42.35 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -114.53 117.09 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG23 ' N ' ' A' ' 24' ' ' ARG . 4.3 m -96.32 -50.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.614 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -82.79 110.23 17.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.732 HG21 ' CD1' ' A' ' 14' ' ' LEU . 15.8 m -119.75 106.4 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -152.62 154.79 36.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.578 ' C ' ' HB2' ' A' ' 32' ' ' ALA . 2.2 t -102.08 123.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 2.1 p90 -123.29 133.0 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.72 -160.0 14.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -32.96 65.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 0.736 . . . . 0.0 110.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.686 HG11 ' HA ' ' A' ' 42' ' ' LEU . 21.0 m -58.77 -45.8 91.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.578 ' HB2' ' C ' ' A' ' 27' ' ' VAL . . . -56.9 -38.11 72.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.85 0.62 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.529 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 82.78 37.57 13.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.689 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.7 mm-40 -123.27 125.62 45.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 110.273 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 162.07 109.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -172.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -77.56 -5.02 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -124.97 34.34 5.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.537 ' OG ' ' HB1' ' A' ' 36' ' ' ALA . 90.7 p -117.43 169.48 9.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.72 163.46 12.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.82 HD13 ' O ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -113.75 126.34 55.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.714 ' N ' HD22 ' A' ' 42' ' ' LEU . 16.3 m-20 -104.7 125.49 50.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.613 ' HG ' HD11 ' A' ' 42' ' ' LEU . 80.3 mt -134.58 125.27 26.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB2' ' CD2' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -103.55 112.45 25.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.569 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.05 159.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -120.73 120.27 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.63 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 71.7 m-85 -93.94 132.34 38.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.971 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -55.39 -173.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.29 16.32 10.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 28.51 3.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.147 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 27.4 mmt180 -125.3 146.86 49.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.46 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 18.4 p -117.0 172.89 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -60.38 -28.16 67.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -44.37 80.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -69.45 -36.94 77.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.63 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 10.5 m170 -59.37 -51.48 69.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.33 -37.86 88.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -63.35 -38.75 92.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.369 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.71 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.46 -47.44 48.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' CE ' ' O ' ' A' ' 72' ' ' VAL . 1.2 tptm -57.31 -51.85 67.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.758 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.83 -36.02 82.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 59' ' ' ARG . . . -64.23 -39.79 94.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD21 ' CD2' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -72.21 -29.2 63.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 18.3 mt-10 -67.45 -32.12 72.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.77 -44.45 38.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.958 HD22 HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -64.37 -46.38 83.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD12 HG21 ' A' ' 72' ' ' VAL . 3.4 mt -83.29 -14.56 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 51.04 20.11 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 68' ' ' LEU . 21.0 m -141.75 149.76 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -40.14 135.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG13 HD12 ' A' ' 42' ' ' LEU . 2.4 t -133.25 143.19 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.73 111.87 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.453 HG23 ' CG2' ' A' ' 46' ' ' VAL . 23.2 mt -102.22 137.31 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.493 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 53.3 t -120.1 145.54 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.6 p -114.62 131.32 56.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -42.17 -48.88 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 ttp85 -51.59 -54.42 27.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.4 -28.2 71.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.493 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -62.61 -175.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.767 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -116.34 169.93 6.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.02 -45.01 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -78.33 -25.44 46.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.767 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 18.0 mt -83.39 -46.38 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 39.6 ttt180 -52.71 -51.29 61.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.718 ' HA ' HD12 ' A' ' 89' ' ' LEU . 9.1 tt0 -55.24 -41.58 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -37.29 69.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 84' ' ' LEU . 39.7 t -59.88 -42.55 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 86' ' ' GLU . 9.7 mt -56.19 -37.55 69.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -23.01 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.959 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.5 mm-40 -105.42 -43.95 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -40.26 116.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.959 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -118.77 144.76 36.24 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.6 Cg_endo -74.97 140.89 26.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.801 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 67.7 p -151.36 89.01 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' -1' ' ' SER . 42.8 m80 -155.65 122.48 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' HE1' HD11 ' A' ' 6' ' ' LEU . 5.5 ptm -155.91 166.27 33.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.656 ' O ' HD22 ' A' ' 6' ' ' LEU . 2.9 m-20 -149.16 161.75 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.67 -44.23 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -61.14 -44.9 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.433 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -62.34 -34.82 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -57.21 -44.25 83.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -70.99 -35.8 72.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.36 -51.16 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.051 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -70.23 -30.9 68.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.69 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.62 -42.32 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.96 -46.56 87.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.83 -37.7 67.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.051 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 20.2 t -66.01 -37.01 78.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -60.5 -42.79 97.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -33.74 72.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.928 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.49 -42.46 52.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.928 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -57.4 -42.62 82.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 108.276 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.45 70.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -72.61 -20.06 61.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.513 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 96.3 m-70 -98.18 -4.38 35.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.612 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' C ' ' HA ' ' A' ' 48' ' ' PHE . . . 104.09 -13.29 52.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.755 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -61.75 129.99 43.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.242 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.08 -49.88 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -78.84 60.26 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.708 ' HA ' HG12 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -78.06 101.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -138.41 156.39 47.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 31' ' ' VAL . 2.5 t -102.22 119.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 1.9 p90 -124.66 131.21 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.07 15.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.48 -30.95 64.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG12 ' HB2' ' A' ' 36' ' ' ALA . 18.9 m -58.06 -42.47 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . . . -53.03 -36.79 60.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -18.34 49.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.73 33.25 4.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.453 1.095 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -118.38 125.1 49.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 0.78 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.641 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -177.57 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -49.9 178.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -13.87 60.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -111.44 39.45 2.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.405 ' HB2' ' HG2' ' A' ' 37' ' ' ARG . 19.3 m -142.92 169.61 17.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.31 178.92 4.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.858 HD21 HD13 ' A' ' 44' ' ' LEU . 0.2 OUTLIER -115.19 116.61 28.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.81 ' N ' HD22 ' A' ' 42' ' ' LEU . 71.7 m-20 -89.87 119.87 30.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.858 HD13 HD21 ' A' ' 42' ' ' LEU . 1.4 tp -135.53 125.13 25.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.717 HD13 HD12 ' A' ' 80' ' ' LEU . 12.2 tp -99.3 113.51 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -129.22 158.65 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -127.19 120.75 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.66 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 53.5 m-85 -88.48 125.45 34.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -124.61 177.69 5.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 71.98 -146.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.85 72.86 0.73 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -109.32 154.46 22.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 p -134.63 174.16 10.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -34.43 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -41.86 72.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -70.8 -37.4 73.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.66 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 10.6 m170 -59.07 -52.07 67.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.4 85.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 6.1 mmt85 -69.45 -34.02 73.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.918 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.63 -48.35 75.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -62.49 -45.79 91.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -67.66 -31.68 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.691 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.38 -45.83 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -60.3 -42.2 95.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 69' ' ' GLY . 75.2 mt-10 -67.77 -26.8 66.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -49.42 23.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.77 -46.04 87.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.825 ' O ' HG13 ' A' ' 70' ' ' VAL . 17.1 mt -85.12 -5.7 59.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.11 22.86 0.57 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 68' ' ' LEU . 18.2 m -134.45 -175.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -79.85 130.41 35.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.779 HG13 HD12 ' A' ' 42' ' ' LEU . 11.7 t -133.27 136.73 54.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.07 111.37 20.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.693 HD11 ' HG ' ' A' ' 64' ' ' LEU . 27.8 mt -97.29 143.93 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.524 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 16.8 t -125.48 144.67 34.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 p -109.6 131.91 54.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.701 ' HG2' HD11 ' A' ' 45' ' ' LEU . 14.0 mt-10 -48.52 -46.06 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -48.37 81.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.83 -4.73 55.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.717 HD12 HD13 ' A' ' 45' ' ' LEU . 3.8 mt -88.16 -179.78 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -102.59 164.37 15.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -74.99 -44.82 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.496 1.787 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.18 -25.12 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.976 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -83.32 -48.98 9.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 2.8 ttm180 -53.25 -50.92 63.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 89' ' ' LEU . 4.6 tt0 -54.74 -42.3 71.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -71.55 -37.05 71.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.976 HG23 ' O ' ' A' ' 84' ' ' LEU . 82.4 t -59.43 -37.03 67.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 86' ' ' GLU . 55.2 mt -55.94 -44.55 78.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.26 -23.39 8.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 93' ' ' ILE . 4.6 mm-40 -103.1 -45.77 4.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 91' ' ' GLU . . . -39.26 130.63 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pt -127.59 121.29 22.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.69 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 95.4 p -59.01 102.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 1' ' ' MET . 4.2 t60 -169.21 137.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.454 ' CB ' ' O ' ' A' ' 0' ' ' HIS . 1.5 ttm 162.49 132.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.609 ' O ' HD12 ' A' ' 6' ' ' LEU . 5.5 m-20 -133.73 158.9 42.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.74 -45.86 92.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -65.32 -44.65 87.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.3 m -66.1 -35.31 80.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -54.41 -42.89 70.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HD2' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -57.69 -28.32 63.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.32 -54.66 44.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.778 ' HB3' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -78.88 -32.23 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.809 ' NH2' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -55.33 -37.24 67.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.2 -46.36 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -71.37 -35.57 71.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.809 HG21 ' NH2' ' A' ' 10' ' ' ARG . 40.5 t -64.97 -34.33 69.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.701 HD22 HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.52 -42.31 87.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.69 -45.33 90.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 17' ' ' CYS . 4.4 pp -73.64 -36.62 65.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.8 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.8 m -58.39 -41.26 84.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 108.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 22' ' ' ALA . . . -67.98 -33.65 75.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -73.33 -18.13 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.534 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 83.2 m-70 -93.84 4.76 53.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.58 -24.73 29.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -47.62 156.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -147.2 123.12 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 23' ' ' VAL . 8.6 mmt180 84.58 -51.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.815 ' HA ' HG12 ' A' ' 46' ' ' VAL . 7.5 t 56.22 106.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 4.6 mtm180 -125.75 154.79 42.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.667 HG23 HD23 ' A' ' 44' ' ' LEU . 1.5 p -114.94 119.34 61.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.762 ' CD2' HG13 ' A' ' 88' ' ' VAL . 3.8 p90 -120.66 148.04 44.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.16 -164.23 20.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.473 1.108 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.5 p -72.51 -36.8 68.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 36' ' ' ALA . 24.4 t -58.53 -36.01 57.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.32 -34.3 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.8 -16.79 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.37 32.54 4.53 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 3.3 mm-40 -127.64 133.11 49.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.85 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . 173.42 106.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.2 OUTLIER -54.91 177.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.8 -1.0 23.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.09 21.87 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.46 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 8.6 t -97.64 156.25 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 172.74 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD23 HG22 ' A' ' 72' ' ' VAL . 19.1 tp -115.14 111.17 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.67 125.68 36.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.667 HD23 HG23 ' A' ' 27' ' ' VAL . 65.3 mt -132.12 126.22 33.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.661 HD13 ' O ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -100.39 112.14 24.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.815 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -132.12 153.18 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -128.5 120.54 26.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' HE2' HD12 ' A' ' 60' ' ' LEU . 34.0 m-85 -90.15 127.88 36.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -100.01 -162.1 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 5.5 tt0 49.7 -150.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.76 84.54 0.36 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -110.01 156.43 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -113.06 168.93 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.71 -30.04 68.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -44.05 74.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -69.76 -38.05 76.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.481 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 21.0 m170 -63.47 -45.97 88.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.74 82.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.757 ' HA ' HD23 ' A' ' 62' ' ' LEU . 4.0 mtt180 -69.53 -34.1 73.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.53 -49.55 76.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.8 -43.99 86.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.757 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -61.64 -36.68 81.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.31 -36.42 66.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.785 ' CD2' HG13 ' A' ' 13' ' ' VAL . 1.4 mt -71.13 -44.06 66.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 69' ' ' GLY . 29.3 mt-10 -65.18 -28.65 69.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.93 -48.86 19.13 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -63.23 -45.84 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -82.31 -15.0 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.97 20.48 1.92 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.0 m -136.38 157.95 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.86 128.37 20.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.749 HG22 HD23 ' A' ' 42' ' ' LEU . 91.1 t -133.82 139.54 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -120.53 109.99 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.763 HG23 ' CG2' ' A' ' 46' ' ' VAL . 88.7 mt -93.49 144.97 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 80' ' ' LEU . 2.3 t -125.89 143.22 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 79' ' ' GLY . 4.4 p -107.63 120.83 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.513 ' CG ' HD21 ' A' ' 45' ' ' LEU . 29.2 mt-10 -42.73 -35.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -42.36 79.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -74.85 -37.23 45.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.921 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -59.68 140.23 56.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -73.69 170.53 13.91 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.664 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.03 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -25.26 53.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.997 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -82.79 -35.82 26.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.502 ' HG2' HD11 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -53.29 -49.99 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.89 -41.26 74.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -71.75 -36.98 70.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 84' ' ' LEU . 45.0 t -64.9 -49.32 80.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 6.7 mt -58.17 -41.24 83.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -53.63 -26.89 24.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.58 -37.02 8.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 26' ' ' ARG . . . -57.25 135.45 56.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 43.2 pt -126.75 132.61 24.39 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.78 9.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.645 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.9 p -64.39 83.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -170.93 132.31 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.588 ' SD ' HG21 ' A' ' 70' ' ' VAL . 2.2 ttm 168.93 97.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.571 ' O ' HD22 ' A' ' 6' ' ' LEU . 1.3 m-20 -108.2 161.18 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.674 HD11 ' CA ' ' A' ' 34' ' ' GLY . 1.6 mm? -55.22 -46.21 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.25 -43.33 87.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' NH1' ' A' ' 9' ' ' ARG . 22.2 m -68.5 -32.4 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD13 ' HD3' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -55.53 -49.03 73.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.32 -54.87 41.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.814 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -75.77 -30.29 59.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.837 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.99 -33.07 68.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.12 -47.68 60.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.68 -41.08 65.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.848 HG21 HD11 ' A' ' 68' ' ' LEU . 73.3 t -58.52 -43.93 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -57.92 -43.08 86.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -37.77 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.75 -40.64 47.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.954 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.2 m -58.39 -41.38 84.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.27 -33.62 74.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -33.48 71.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.516 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 43.5 m-70 -80.27 -11.79 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.607 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.35 26.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -70.57 104.34 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.71 -41.95 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.5 mmt-85 -83.71 62.29 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG11 ' HG ' ' A' ' 14' ' ' LEU . 38.4 t -82.25 112.35 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB3' ' CA ' ' A' ' 94' ' ' PRO . 6.1 ptm180 -151.5 155.5 38.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.977 HG12 HG23 ' A' ' 31' ' ' VAL . 1.2 t -105.21 122.76 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.649 ' CG ' HG13 ' A' ' 88' ' ' VAL . 13.0 p90 -121.84 140.4 52.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.34 -151.5 17.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.411 ' OG ' ' CG ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -72.65 -31.15 64.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.737 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.977 HG23 HG12 ' A' ' 27' ' ' VAL . 26.4 m -58.83 -45.48 91.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 27' ' ' VAL . . . -55.5 -33.61 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -82.78 -17.26 44.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.674 ' CA ' HD11 ' A' ' 3' ' ' LEU . . . 101.23 29.85 6.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' OG ' ' A' ' 30' ' ' SER . 5.8 tp10 -123.8 127.68 48.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.655 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -175.42 86.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.42 168.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.72 -9.04 40.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.53 -2.13 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.11 175.29 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.002 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.51 178.07 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.984 HD11 HD13 ' A' ' 44' ' ' LEU . 2.5 tm? -101.85 116.64 33.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.3 m-20 -94.88 116.37 28.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.984 HD13 HD11 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -130.84 125.57 34.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.649 HD22 HG11 ' A' ' 88' ' ' VAL . 2.6 tp -99.65 113.05 25.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.649 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.3 OUTLIER -123.86 158.15 30.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.46 121.23 28.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.78 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 57.1 m-85 -92.66 120.54 33.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' GLU . 12.5 pt-20 -81.12 -167.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . 5.2 tt0 38.01 -151.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.33 75.12 0.21 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -80.16 148.91 30.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.456 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 75.5 p -96.95 165.46 12.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -65.89 -28.81 69.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -44.29 82.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -70.3 -37.07 74.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.78 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 13.7 m170 -61.13 -50.54 72.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.565 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' O ' ' CD1' ' A' ' 62' ' ' LEU . . . -65.5 -36.21 83.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -63.57 -40.2 96.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.851 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.89 -44.82 91.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 61' ' ' LYS . 3.1 tptm -57.26 -52.2 66.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 58' ' ' ALA . 6.4 mp -60.55 -29.21 69.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.904 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.14 -41.93 69.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.731 HD22 HG13 ' A' ' 13' ' ' VAL . 2.6 mt -68.77 -42.35 77.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 69' ' ' GLY . 0.5 OUTLIER -58.6 -36.12 73.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.3 -49.73 14.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -45.4 85.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.848 HD11 HG21 ' A' ' 13' ' ' VAL . 5.8 mp -81.6 -13.86 57.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.11 20.94 2.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 72' ' ' VAL . 18.0 m -147.58 148.85 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -36.84 133.39 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 70' ' ' VAL . 54.8 t -133.38 138.76 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -121.56 111.33 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.649 HG23 ' CG2' ' A' ' 46' ' ' VAL . 9.5 mt -102.6 142.75 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 40.4 t -131.62 145.74 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.5 p -106.94 122.86 47.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.512 ' CG ' HD11 ' A' ' 45' ' ' LEU . 53.8 mt-10 -42.35 -43.15 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -55.31 -49.78 71.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.77 -28.05 73.4 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.561 1.163 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.638 ' CD1' HD22 ' A' ' 45' ' ' LEU . 3.2 mt -59.89 -178.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.894 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -105.37 165.1 13.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.037 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -25.41 45.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 33.7 mt -83.84 -43.39 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 43.3 ttt180 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -55.87 -42.89 76.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.86 -37.82 70.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 84' ' ' LEU . 56.1 t -61.94 -49.5 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 9.6 mt -55.82 -38.12 69.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -23.39 8.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 93' ' ' ILE . 6.3 mm-40 -112.56 -43.29 3.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.624 ' HB2' ' HB3' ' A' ' 28' ' ' PHE . . . -44.72 128.59 6.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.5 pp -126.48 114.18 23.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.481 ' CA ' ' HB3' ' A' ' 26' ' ' ARG . 18.4 Cg_endo -74.96 116.01 4.46 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 HD13 ' A' ' 14' ' ' LEU . 2.9 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 0' ' ' HIS . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 71.0 p -82.65 116.3 21.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.567 ' CD2' ' O ' ' A' ' -2' ' ' GLY . 0.0 OUTLIER -171.0 100.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.826 ' HE1' HD21 ' A' ' 6' ' ' LEU . 4.8 mtp -147.97 139.19 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 6' ' ' LEU . 4.1 m-20 -146.88 154.51 41.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -58.6 -46.86 86.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.53 -44.66 81.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -33.9 72.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.826 HD21 ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER -58.43 -36.78 74.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.658 ' NH1' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.03 -35.45 76.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.721 ' O ' HD23 ' A' ' 14' ' ' LEU . 10.3 mtt-85 -62.26 -33.49 74.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.1 -47.99 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.49 -35.52 70.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 9' ' ' ARG . 37.7 t -67.28 -36.31 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -57.4 -43.7 83.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -34.93 76.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.95 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.86 -40.74 54.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.95 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -56.62 -39.5 73.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 108.277 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.52 76.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -67.61 -38.06 83.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 53.1 m-70 -71.56 -28.95 64.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 130.84 -15.28 5.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.115 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -60.98 114.27 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.478 HG11 ' HG2' ' A' ' 49' ' ' GLU . 31.2 m -101.91 -43.55 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -98.24 80.4 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG11 HD22 ' A' ' 14' ' ' LEU . 2.7 t -88.56 104.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -137.65 155.42 49.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.439 HG22 ' CA ' ' A' ' 32' ' ' ALA . 2.5 p -107.82 125.5 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 9.9 p90 -123.66 140.79 52.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.66 -151.13 18.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.64 -37.71 67.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.771 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.735 HG11 HD23 ' A' ' 42' ' ' LEU . 77.8 t -58.55 -33.96 49.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.439 ' CA ' HG22 ' A' ' 27' ' ' VAL . . . -58.78 -30.33 67.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.45 -13.28 28.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.61 28.05 6.15 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -118.96 133.87 55.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -150.46 95.31 2.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 40' ' ' SER . 0.0 OUTLIER -40.59 161.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -80.32 -2.57 45.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.99 17.81 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' CB ' ' A' ' 37' ' ' ARG . 1.1 m -103.55 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -114.97 159.23 20.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.026 HD12 HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -80.32 116.96 20.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.48 ' N ' HD22 ' A' ' 42' ' ' LEU . 77.0 m-20 -99.59 120.57 39.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 42' ' ' LEU . 1.1 tp -135.58 125.4 25.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.658 HD11 ' CG ' ' A' ' 77' ' ' GLU . 0.9 OUTLIER -99.07 111.79 24.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.618 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -123.0 157.57 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -128.58 121.05 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.75 ' CG ' ' CE1' ' A' ' 57' ' ' HIS . 31.8 m-85 -91.82 138.81 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 35.7 mt-10 -54.39 -162.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.83 1.52 31.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.54 42.01 1.86 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.56 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -129.93 138.96 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.297 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 p -89.44 149.97 22.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -57.49 -29.28 64.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -42.39 72.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -69.64 -36.92 76.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 48' ' ' PHE . 15.1 m170 -58.66 -51.86 68.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.0 85.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 62' ' ' LEU . 24.5 mtt-85 -66.38 -34.01 77.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.588 HD12 ' HE2' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -57.65 -39.78 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -65.29 -48.65 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -66.43 -31.3 71.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -69.82 -39.63 76.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.67 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -71.99 -34.57 69.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.9 mt-10 -68.12 -27.44 66.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.45 -51.17 13.24 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.556 HD13 ' CG2' ' A' ' 13' ' ' VAL . 5.9 mt -64.19 -43.81 93.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.658 HD11 ' NH1' ' A' ' 9' ' ' ARG . 6.8 mt -82.06 -14.6 55.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 45.59 21.78 0.57 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 72' ' ' VAL . 23.4 m -141.29 157.01 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -45.59 123.72 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.251 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.026 HG13 HD12 ' A' ' 42' ' ' LEU . 54.8 t -134.16 138.92 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -121.74 131.61 54.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.67 HD11 ' HG ' ' A' ' 64' ' ' LEU . 72.0 mt -118.02 145.17 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 38.9 t -125.31 145.97 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -104.63 127.95 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.658 ' CG ' HD11 ' A' ' 45' ' ' LEU . 16.0 mt-10 -48.92 -37.29 19.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -50.79 61.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.11 -19.3 65.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 mt -66.19 -175.52 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -111.22 166.74 10.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -75.03 -44.43 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.0 ptt-85 -78.24 -26.02 47.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 88' ' ' VAL . 24.9 mt -83.51 -45.79 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.537 ' HG2' HD11 ' A' ' 89' ' ' LEU . 20.5 ttt-85 -52.92 -50.81 63.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.14 -41.11 71.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.06 -36.78 69.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 84' ' ' LEU . 60.5 t -65.0 -50.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.537 HD11 ' HG2' ' A' ' 85' ' ' ARG . 6.3 mt -56.8 -25.92 56.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -71.07 -23.18 62.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.818 ' O ' HG23 ' A' ' 93' ' ' ILE . 11.0 mm-40 -107.48 -44.8 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.04 135.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 91' ' ' GLU . 9.8 pt -135.28 147.87 63.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.89 23.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.769 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.879 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 52.0 p -99.81 83.11 2.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -145.85 18.52 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.6 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.591 ' SD ' HG21 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -60.54 113.64 2.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -121.75 152.9 38.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.81 -47.15 77.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -54.13 -45.28 71.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 1.2 m -71.79 -31.66 66.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -52.54 -40.25 62.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.94 70.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.98 -53.28 58.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.616 ' HD2' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -71.33 -36.69 71.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.239 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.707 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.41 -37.22 72.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.323 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -59.38 -46.89 87.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.8 -35.77 70.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.844 HG13 HD22 ' A' ' 64' ' ' LEU . 24.4 t -66.93 -37.15 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.999 ' HG ' HD12 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -59.12 -43.41 91.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -33.16 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.898 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -75.29 -38.89 60.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.898 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -56.17 -42.46 77.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.3 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -38.28 81.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -73.0 -26.51 61.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.854 ' HB3' HD22 ' A' ' 60' ' ' LEU . 6.3 m-70 -81.97 5.12 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.97 -25.18 24.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.758 ' HB3' ' C ' ' A' ' 17' ' ' CYS . . . -43.67 158.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -147.03 -49.04 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.088 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.701 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 2.8 mmt85 -110.48 65.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.983 ' HA ' HG12 ' A' ' 46' ' ' VAL . 24.1 t -70.75 125.91 29.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 mtt180 -151.97 155.32 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.513 HG23 HD23 ' A' ' 44' ' ' LEU . 5.3 p -116.86 119.56 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.707 ' CD2' HG13 ' A' ' 88' ' ' VAL . 15.4 p90 -122.9 148.01 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.83 -157.91 16.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -31.92 65.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 36' ' ' ALA . 44.2 t -58.77 -38.26 71.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -58.7 -29.99 67.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -89.63 -13.77 36.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.14 37.9 3.96 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -129.35 125.81 37.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.814 ' HB2' HG22 ' A' ' 31' ' ' VAL . . . -174.97 -165.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.13 174.68 14.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -18.15 41.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -110.29 62.63 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.05 -174.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.73 163.64 16.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' HG ' HG21 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -113.84 118.97 35.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 3.0 m-20 -79.93 112.94 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD23 HG23 ' A' ' 27' ' ' VAL . 15.5 mt -118.87 124.85 48.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 77' ' ' GLU . 22.3 tp -96.18 116.36 28.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.983 HG12 ' HA ' ' A' ' 25' ' ' VAL . 9.3 m -133.76 159.39 42.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.701 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -128.12 121.34 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.799 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 71.1 m-85 -92.25 128.25 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -58.13 -164.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -92.72 127.43 38.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -23.31 9.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -77.02 148.12 36.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.1 p -129.74 172.71 11.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -31.21 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -55.21 -44.06 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -68.81 -36.64 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 13.3 m170 -58.59 -45.67 88.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.64 84.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 -69.67 -35.04 74.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.25 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.854 HD22 ' HB3' ' A' ' 20' ' ' HIS . 5.1 tp -70.25 -48.07 58.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -57.87 -49.06 77.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.779 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -63.61 -33.71 76.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.554 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -68.35 -35.88 78.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.844 HD22 HG13 ' A' ' 13' ' ' VAL . 2.8 mt -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' CA ' ' A' ' 69' ' ' GLY . 39.1 mt-10 -67.79 -30.09 69.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.51 -51.22 17.33 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.558 HD13 HG22 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -65.64 -46.34 79.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.6 mp -82.61 -1.85 52.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.503 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 37.35 30.34 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 68' ' ' LEU . 24.3 m -157.13 158.87 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -45.47 138.16 4.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 70' ' ' VAL . 53.7 t -133.2 135.7 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.73 112.74 23.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.523 HG23 HG21 ' A' ' 46' ' ' VAL . 87.0 mt -101.73 144.68 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.463 HG11 HD21 ' A' ' 80' ' ' LEU . 1.3 t -130.12 142.44 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 90.8 p -111.33 126.14 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.697 ' HG2' HD11 ' A' ' 45' ' ' LEU . 2.5 mt-10 -40.59 -51.32 2.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -38.27 6.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -75.82 -38.29 36.84 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.739 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -61.42 138.41 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.727 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -68.14 167.05 19.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.02 -43.19 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -76.61 -26.44 54.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.983 ' O ' HG23 ' A' ' 88' ' ' VAL . 17.5 mt -81.86 -34.11 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.475 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 23.3 ttm180 -54.37 -50.54 67.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -54.71 -42.67 71.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -72.31 -36.51 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.264 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 84' ' ' LEU . 65.3 t -65.62 -49.72 76.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.687 ' HA ' ' HB3' ' A' ' 92' ' ' ALA . 17.4 mt -56.36 -37.42 70.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -53.55 -23.8 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.8 mm-40 -113.87 -29.89 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.687 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -54.56 121.07 7.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.645 HG23 ' O ' ' A' ' 91' ' ' GLU . 38.6 pt -125.19 147.44 57.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 116.77 4.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.999 HD12 ' HG ' ' A' ' 14' ' ' LEU . 2.4 tm? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.1 m -101.01 100.15 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.0 p-80 -171.6 113.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.808 ' HE3' HD22 ' A' ' 68' ' ' LEU . 10.6 ptm -136.88 176.57 8.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 171.62 -179.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 2.8 mm? -61.2 -45.3 95.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.63 -46.11 77.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.79 -34.02 71.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -57.28 -44.94 84.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -64.54 -33.87 76.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.16 -51.24 32.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.682 ' CZ ' HD12 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -73.1 -32.7 65.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.85 ' NH2' HG22 ' A' ' 27' ' ' VAL . 11.4 mmt180 -58.58 -33.14 69.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.27 -48.37 61.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.1 -35.39 64.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.895 HG23 HD22 ' A' ' 67' ' ' LEU . 12.0 t -67.85 -35.85 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.798 HD11 HG11 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -59.22 -44.94 92.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -33.79 70.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.899 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -75.8 -39.02 57.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.899 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -55.66 -43.85 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.313 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.06 -32.89 72.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -19.87 63.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.967 ' HB2' HD22 ' A' ' 60' ' ' LEU . 97.5 m-70 -102.84 1.15 33.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.581 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 48' ' ' PHE . . . 101.6 -24.61 30.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB3' ' CB ' ' A' ' 17' ' ' CYS . . . -50.07 129.96 21.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -133.36 -50.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 22.3 mmt180 -77.23 63.53 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.798 HG11 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -67.75 112.31 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.721 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.0 OUTLIER -151.66 153.32 34.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.85 HG22 ' NH2' ' A' ' 10' ' ' ARG . 1.5 t -107.86 122.32 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.557 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.2 p90 -123.11 135.44 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.13 -159.82 14.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -30.51 64.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.723 HG11 ' HA ' ' A' ' 42' ' ' LEU . 30.1 m -57.82 -48.93 82.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.446 ' N ' HG23 ' A' ' 31' ' ' VAL . . . -53.21 -35.71 60.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.27 9.5 20.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.62 50.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 12.3 mt-10 -130.43 126.51 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 171.41 99.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.41 -2.56 49.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -122.47 27.57 7.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m -120.83 166.48 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.53 179.81 4.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.723 ' HA ' HG11 ' A' ' 31' ' ' VAL . 68.7 tp -115.73 110.01 18.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.87 119.04 27.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.785 ' CD2' HG13 ' A' ' 27' ' ' VAL . 91.9 mt -125.69 129.44 49.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.952 HD23 ' HB2' ' A' ' 92' ' ' ALA . 18.3 tp -102.0 113.61 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -136.32 150.52 27.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 23' ' ' VAL . . . -129.51 123.76 32.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.841 ' HE2' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.48 144.18 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 5.7 pt-20 -84.92 -151.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 51' ' ' GLY . 4.4 tt0 -85.08 158.99 20.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' CG ' ' A' ' 50' ' ' GLU . . . 94.51 -32.15 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.484 ' HG2' ' CB ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -76.08 157.63 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.3 p -135.3 175.0 9.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.52 -34.74 62.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.01 -42.99 73.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -67.25 -36.42 81.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.79 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 9.7 m-70 -59.05 -52.45 65.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.74 -39.89 80.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' HA ' HD23 ' A' ' 62' ' ' LEU . 1.6 mmt85 -62.88 -43.54 98.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.967 HD22 ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -58.34 -37.92 76.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 74' ' ' ILE . 2.4 tptm -66.1 -51.99 52.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -63.72 -41.4 98.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.812 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -61.56 -47.54 85.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.879 ' HG ' HD11 ' A' ' 74' ' ' ILE . 0.1 OUTLIER -60.29 -40.76 91.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 69' ' ' GLY . 63.7 mt-10 -72.57 -27.36 62.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.14 -44.57 35.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.895 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.28 -46.39 87.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 0.76 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.881 ' O ' HG13 ' A' ' 70' ' ' VAL . 11.2 mt -87.31 -8.19 56.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 49.37 20.77 2.55 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.516 1.135 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.881 HG13 ' O ' ' A' ' 68' ' ' LEU . 12.2 m -130.42 178.62 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -76.35 128.47 34.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.4 t -133.82 145.0 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -115.17 113.99 24.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.879 HD11 ' HG ' ' A' ' 64' ' ' LEU . 20.8 mt -103.13 145.97 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 80' ' ' LEU . 0.9 OUTLIER -131.64 145.75 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.6 p -107.87 120.89 43.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.515 ' CG ' HD11 ' A' ' 45' ' ' LEU . 22.5 mt-10 -42.32 -37.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -54.63 33.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.67 -43.14 91.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 111.027 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.046 HD12 HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -56.39 125.94 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.858 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -45.15 161.74 0.23 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.96 -43.08 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -75.73 -27.23 58.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 88' ' ' VAL . 18.9 mt -82.84 -33.08 27.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 47.2 ttp180 -52.06 -50.07 62.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -53.72 -41.96 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 110.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -72.56 -36.35 68.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.046 HG21 HD12 ' A' ' 80' ' ' LEU . 47.0 t -69.97 -45.87 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.502 HD23 HD21 ' A' ' 45' ' ' LEU . 93.6 mt -56.18 -49.61 73.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.17 -22.88 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 93' ' ' ILE . 1.7 mm-40 -93.81 -40.9 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.952 ' HB2' HD23 ' A' ' 45' ' ' LEU . . . -48.06 144.82 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.598 HG23 ' O ' ' A' ' 91' ' ' GLU . 34.6 pt -138.16 132.29 16.86 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.4 Cg_endo -74.99 128.89 11.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.521 1.801 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.784 HD13 ' HG3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 6.7 m -66.7 171.05 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -150.73 -174.98 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.516 ' CE ' HD22 ' A' ' 68' ' ' LEU . 1.1 ttm 64.12 144.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -154.88 159.26 40.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 7' ' ' ARG . 4.2 mm? -55.21 -45.24 75.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -64.63 -38.39 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.54 -41.96 92.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 1.5 mt -57.02 -43.27 81.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -63.07 -40.47 97.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.34 -51.38 63.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 1.016 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -69.45 -29.35 67.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.683 HH22 HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -56.47 -42.75 78.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -48.39 81.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.07 -35.99 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.016 HG21 ' CZ ' ' A' ' 9' ' ' ARG . 31.4 t -65.04 -42.57 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -57.63 -43.54 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -38.72 91.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.936 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.62 -38.94 53.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.936 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.1 m -57.63 -42.28 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 108.311 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.87 71.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.76 -27.03 60.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.758 ' CB ' HD22 ' A' ' 60' ' ' LEU . 68.4 m-70 -97.42 6.01 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.582 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.674 ' O ' ' CD2' ' A' ' 48' ' ' PHE . . . 80.59 74.6 1.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.809 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -156.76 89.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 m -89.87 -34.07 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.28 54.25 2.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.693 ' HA ' HG12 ' A' ' 46' ' ' VAL . 22.0 t -71.11 74.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.53 155.12 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.683 HG11 HH22 ' A' ' 10' ' ' ARG . 1.5 p -107.23 117.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 1.6 p90 -122.97 147.83 46.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 111.5 -170.88 13.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.53 -35.65 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.853 HG11 HD22 ' A' ' 42' ' ' LEU . 9.2 m -59.02 -35.09 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' HA ' HG22 ' A' ' 27' ' ' VAL . . . -60.07 -36.33 77.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -84.25 9.2 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.65 12.08 84.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.37 125.51 35.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -175.39 148.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -125.85 -175.58 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.81 -1.31 30.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -135.38 42.97 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p -126.36 176.54 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.26 174.48 6.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.853 HD22 HG11 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -114.91 121.04 41.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' H ' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.07 114.05 28.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.794 ' HG ' HD12 ' A' ' 42' ' ' LEU . 15.1 mt -131.37 127.65 38.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.662 HD13 HD12 ' A' ' 80' ' ' LEU . 18.9 tp -97.89 121.85 40.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG12 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -130.63 158.88 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.5 124.32 39.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.679 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 31.2 m-85 -92.87 117.3 29.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 52' ' ' ARG . 3.8 pt-20 -93.96 -157.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.472 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 6.0 tt0 38.87 -147.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.53 90.43 0.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.816 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -118.6 160.12 22.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 61.1 p -129.49 173.95 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.722 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -60.74 -28.04 68.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -45.09 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -37.78 72.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.679 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 14.1 m170 -60.43 -50.22 74.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.645 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.44 82.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.666 ' HA ' HD23 ' A' ' 62' ' ' LEU . 3.0 mmt180 -68.54 -37.78 80.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.758 HD22 ' CB ' ' A' ' 20' ' ' HIS . 3.2 tp -58.27 -50.19 74.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -58.49 -44.51 89.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -65.83 -31.98 73.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -73.84 -43.1 59.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' A' ' 74' ' ' ILE . 1.1 mt -65.08 -40.0 94.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 69' ' ' GLY . 61.4 mt-10 -68.96 -26.86 65.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.82 -45.06 45.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -63.6 -46.38 86.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.995 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.1 mt -90.33 1.87 56.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 38.72 29.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.995 HG13 ' O ' ' A' ' 68' ' ' LEU . 22.2 m -132.84 -171.5 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -90.18 128.73 36.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.91 143.44 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -118.75 111.44 18.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.616 ' CG2' ' CG2' ' A' ' 46' ' ' VAL . 6.2 mt -96.14 143.83 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 54.9 t -127.45 146.41 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' GLY . 3.8 p -107.17 123.04 47.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.51 ' HG3' HD11 ' A' ' 45' ' ' LEU . 13.6 mt-10 -41.43 -51.97 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -40.21 65.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.64 -28.51 65.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.662 HD12 HD13 ' A' ' 45' ' ' LEU . 3.1 mt -62.81 -176.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -108.59 166.45 10.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.2 Cg_endo -75.0 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.443 1.76 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -78.61 -25.7 45.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.994 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -82.94 -48.13 11.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -52.64 -51.22 61.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 89' ' ' LEU . 3.1 mt-10 -54.32 -43.1 70.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -72.69 -36.91 67.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 84' ' ' LEU . 96.3 t -59.93 -39.4 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.237 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 86' ' ' GLU . 34.6 mt -56.03 -45.32 79.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -53.92 -23.99 14.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.703 ' O ' HG23 ' A' ' 93' ' ' ILE . 23.6 mm-40 -100.95 -49.05 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.15 137.42 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 91' ' ' GLU . 37.7 pt -134.26 131.35 20.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.55 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . 0.453 ' H2 ' ' CD2' ' A' ' 0' ' ' HIS . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.6 m -72.47 95.34 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.453 ' CD2' ' H2 ' ' A' ' -2' ' ' GLY . 7.5 p80 -164.4 112.15 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.874 ' CE ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 170.76 122.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.706 ' O ' HD22 ' A' ' 6' ' ' LEU . 1.8 m-20 -138.26 176.41 8.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 4.5 mm? -70.25 -46.47 64.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.37 -46.02 78.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.573 HG22 ' NH1' ' A' ' 9' ' ' ARG . 1.4 m -61.45 -32.49 72.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.874 HD11 ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.22 -47.78 82.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.452 ' N ' ' CD ' ' A' ' 7' ' ' ARG . 2.2 mmt85 -56.17 -31.93 63.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.63 -55.08 38.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.844 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -77.81 -31.03 51.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.794 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -57.93 -30.14 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.82 -48.18 48.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.18 65.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 9' ' ' ARG . 89.2 t -65.36 -40.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.92 -43.01 85.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -37.1 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.978 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.873 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.05 -36.57 58.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.873 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -56.3 -42.57 77.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -70.29 -33.17 71.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -65.33 -19.44 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 63.8 m-70 -93.55 -31.98 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.61 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 138.67 -14.67 3.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.18 107.08 1.2 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.6 m -100.09 -43.38 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -86.56 81.23 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.68 HG11 HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -91.18 113.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.676 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -151.53 152.33 32.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 32' ' ' ALA . 21.0 t -103.98 122.07 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' CG ' HG13 ' A' ' 88' ' ' VAL . 2.8 p90 -124.91 133.41 53.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.32 -157.77 16.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.87 -29.74 63.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.893 HG11 HD13 ' A' ' 42' ' ' LEU . 29.0 t -57.42 -48.61 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.776 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -61.0 -31.77 71.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -80.87 -14.57 57.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.99 43.3 2.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.8 mm-40 -137.39 127.4 25.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 175.45 125.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.12 -175.08 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -83.3 -0.73 50.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -113.97 10.12 17.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -122.94 168.61 12.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.966 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.35 175.93 5.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.893 HD13 HG11 ' A' ' 31' ' ' VAL . 12.3 tp -110.37 111.91 23.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 16.4 m-20 -86.38 115.18 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.737 HD11 HD21 ' A' ' 42' ' ' LEU . 85.1 mt -133.55 126.85 31.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -103.74 113.55 27.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.624 ' N ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -123.71 158.75 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . . . -125.15 122.09 36.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.56 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 92.1 m-85 -92.55 122.03 34.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.21 -168.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 42.15 -154.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.75 65.53 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -78.4 137.85 38.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 75.1 p -104.43 170.96 7.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -33.17 68.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -42.75 74.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -70.15 -37.0 75.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CE1' ' CD1' ' A' ' 48' ' ' PHE . 15.0 m170 -60.37 -48.95 79.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.85 -33.43 75.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.519 ' HA ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -63.02 -39.04 93.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.818 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -74.29 -41.45 61.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.88 -39.77 94.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -73.05 -34.63 66.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -71.96 -36.06 69.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.693 HD22 HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -70.0 -37.33 75.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 69' ' ' GLY . 10.8 mt-10 -66.17 -32.53 74.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.47 -49.5 19.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.752 HD23 HG22 ' A' ' 13' ' ' VAL . 3.3 mp -64.54 -44.79 89.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.732 HD11 HH21 ' A' ' 10' ' ' ARG . 6.0 mt -82.02 -14.21 56.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.78 20.22 1.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 72' ' ' VAL . 20.7 m -142.96 161.21 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -51.79 132.69 31.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 70' ' ' VAL . 78.8 t -133.6 136.4 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -112.39 114.09 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.595 HG23 ' CG2' ' A' ' 46' ' ' VAL . 4.3 mt -106.43 143.32 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.48 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 42.9 t -131.17 145.05 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' ARG . 0.4 OUTLIER -108.22 121.8 45.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' CG ' HD21 ' A' ' 45' ' ' LEU . 20.1 mt-10 -40.42 -29.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' SER . 7.0 ttt180 -68.6 -54.77 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.69 -18.37 63.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.48 ' HG ' ' CG1' ' A' ' 75' ' ' VAL . 3.5 mt -67.39 -175.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -118.48 172.16 4.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.709 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.4 Cg_endo -74.98 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -25.0 45.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.011 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.3 mp -82.99 -48.22 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG2' HD11 ' A' ' 89' ' ' LEU . 13.4 ttp180 -52.7 -50.5 63.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -55.35 -42.86 74.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -72.4 -37.33 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.011 HG23 ' O ' ' A' ' 84' ' ' LEU . 59.0 t -63.06 -49.09 84.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 85' ' ' ARG . 8.5 mt -56.14 -37.45 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -22.96 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 93' ' ' ILE . 8.8 mm-40 -109.38 -42.05 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.676 ' HB1' ' HB3' ' A' ' 26' ' ' ARG . . . -39.06 115.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.905 HG23 ' O ' ' A' ' 91' ' ' GLU . 3.1 pt -117.95 129.33 25.43 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.67 15.64 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.792 HD13 ' HG2' ' A' ' 10' ' ' ARG . 1.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 3.2 m -180.0 120.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' -1' ' ' SER . 0.8 OUTLIER 163.41 140.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.732 ' HE1' HD11 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -178.19 99.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.628 ' O ' HD22 ' A' ' 6' ' ' LEU . 30.4 t0 -118.51 169.49 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.806 HD11 ' HA2' ' A' ' 34' ' ' GLY . 2.0 mm? -63.57 -46.53 85.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -36.8 63.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HA ' ' HB3' ' A' ' 8' ' ' ALA . 1.2 m -79.01 -31.95 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.732 HD11 ' HE1' ' A' ' 1' ' ' MET . 0.3 OUTLIER -56.25 -55.06 37.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 8' ' ' ALA . 1.3 ptm180 -68.86 -29.33 67.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 5' ' ' THR . . . -68.21 -49.01 63.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.825 ' HE ' HD11 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -69.42 -31.99 70.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.252 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.694 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -65.35 -31.23 72.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.08 -48.34 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 67' ' ' LEU . . . -73.84 -36.2 64.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.013 HG23 HD22 ' A' ' 67' ' ' LEU . 3.3 t -67.89 -34.71 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -61.87 -40.96 97.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -44.82 96.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 60' ' ' LEU . 4.3 pp -75.19 -30.01 60.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.572 ' SG ' HG11 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -56.56 -42.73 79.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' N ' ' SG ' ' A' ' 17' ' ' CYS . . . -71.11 -33.03 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -68.62 -40.93 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 89.9 m-70 -75.25 -33.32 61.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.18 54.13 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . -124.43 133.15 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.765 ' CG2' ' HB3' ' A' ' 47' ' ' ALA . 5.6 m -120.45 -158.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CB ' ' OE2' ' A' ' 77' ' ' GLU . 5.8 mmt85 37.37 31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.623 HG21 ' CD1' ' A' ' 14' ' ' LEU . 3.4 m -49.14 103.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HB3' ' HB1' ' A' ' 92' ' ' ALA . 1.5 mtt-85 -152.46 155.55 37.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -112.12 122.93 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' CG ' HG22 ' A' ' 88' ' ' VAL . 4.6 p90 -123.0 147.88 46.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 110.83 -169.8 13.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -37.44 80.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 36' ' ' ALA . 4.4 m -59.25 -34.16 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -58.76 -42.42 88.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -1.44 37.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.806 ' HA2' HD11 ' A' ' 3' ' ' LEU . . . 85.48 37.68 9.49 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 1.6 mm-40 -119.93 125.68 49.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . 173.73 122.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HG2' ' CB ' ' A' ' 40' ' ' SER . 0.0 OUTLIER -76.39 -174.98 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.25 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.26 -2.35 31.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -130.61 23.13 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.42 ' CB ' ' HG2' ' A' ' 37' ' ' ARG . 2.4 t -98.56 155.61 17.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 110.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -95.24 165.97 12.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.064 HD12 HG13 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -114.09 131.41 56.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' HD22 ' A' ' 42' ' ' LEU . 13.8 m-20 -108.68 118.95 38.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.813 HD13 HD11 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -130.45 125.9 35.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD11 ' HG3' ' A' ' 77' ' ' GLU . 1.2 tp -100.15 114.88 28.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.612 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -126.56 130.94 71.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.765 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -95.67 123.14 39.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.789 ' CD2' ' CE1' ' A' ' 57' ' ' HIS . 54.1 m-85 -92.27 117.72 30.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.18 -162.34 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -82.04 144.64 30.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.09 -24.31 30.63 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HD3' ' A' ' 52' ' ' ARG . 15.0 mmt180 -76.76 141.22 40.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 0.796 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.527 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 76.7 p -129.27 173.29 10.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.97 -32.27 61.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.88 -43.12 72.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -70.85 -36.83 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 48' ' ' PHE . 9.5 m170 -59.31 -52.07 67.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.41 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HA ' HD23 ' A' ' 62' ' ' LEU . 11.5 mmt85 -63.56 -36.74 84.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -75.9 -46.02 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.94 -40.97 81.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.518 ' N ' ' HG3' ' A' ' 61' ' ' LYS . 0.4 OUTLIER -73.8 -37.11 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.36 -36.92 79.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD21 HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -70.84 -37.09 73.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 72' ' ' VAL . 45.1 mt-10 -69.52 -27.09 64.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.89 -44.28 47.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.013 HD22 HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -63.7 -45.31 90.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.312 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.825 HD11 ' HE ' ' A' ' 9' ' ' ARG . 4.2 mt -83.22 -14.59 52.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 53.88 17.6 7.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.616 HG21 ' SD ' ' A' ' 1' ' ' MET . 16.3 m -135.99 176.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.542 0.79 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.04 133.14 50.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.064 HG13 HD12 ' A' ' 42' ' ' LEU . 38.5 t -133.68 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 110.88 16.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.612 HG23 ' CG2' ' A' ' 46' ' ' VAL . 42.3 mt -99.84 142.19 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.486 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 18.5 t -126.59 145.81 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 2.3 p -106.34 122.04 45.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.042 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' HG3' HD11 ' A' ' 45' ' ' LEU . 9.4 mt-10 -43.98 -34.76 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.33 -68.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.71 -22.1 8.01 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 45' ' ' LEU . 3.4 mt -60.54 -175.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB1' ' HD2' ' A' ' 82' ' ' PRO . . . -111.16 168.55 7.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -74.97 -45.16 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.505 1.792 . . . . 0.0 111.047 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -79.02 -24.65 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -83.64 -43.29 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.509 ' O ' HG12 ' A' ' 88' ' ' VAL . 57.5 ttt180 -54.99 -50.04 69.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -63.37 -37.64 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -72.57 -40.25 66.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.54 HG22 ' CG ' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -73.39 -48.8 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 2.4 mt -53.44 -51.4 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -52.6 -23.97 7.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.4 mm-40 -96.7 -31.68 12.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -58.37 132.29 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pt -119.37 147.55 43.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.01 138.5 23.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.774 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.3 m -67.13 84.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.08 30.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.587 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' CE ' ' HE ' ' A' ' 9' ' ' ARG . 84.9 mmm -61.77 -171.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.893 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 m-20 -165.76 156.9 13.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 7' ' ' ARG . 4.2 mm? -62.04 -45.73 92.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.3 -42.77 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -67.01 -39.52 87.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.893 HD12 ' O ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -55.83 -36.13 67.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -73.39 -39.05 65.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.63 -51.6 58.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.696 ' NH1' HD23 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.31 -31.21 72.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.993 ' HG2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -61.88 -39.98 93.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.28 -48.14 82.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.67 -41.76 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.554 HG21 HD11 ' A' ' 68' ' ' LEU . 3.8 t -63.92 -35.17 72.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.91 HD23 ' O ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -63.61 -44.1 94.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.71 -35.66 72.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.064 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -75.52 -43.93 46.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.012 ' N ' HD23 ' A' ' 16' ' ' LEU . 3.7 m -58.72 -41.56 86.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.21 -33.0 74.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -19.36 63.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.57 ' CG ' ' HG ' ' A' ' 60' ' ' LEU . 30.5 m-70 -92.33 -6.14 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.89 -22.19 21.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 17' ' ' CYS . . . -46.07 118.2 1.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 47' ' ' ALA . 1.3 m -113.51 -37.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.65 52.8 2.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.751 HG11 HD13 ' A' ' 14' ' ' LEU . 14.2 p -67.94 107.15 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -152.36 156.4 39.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.598 ' C ' ' HB2' ' A' ' 32' ' ' ALA . 2.4 t -102.12 118.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 43' ' ' ASP . 2.6 p90 -122.86 134.3 54.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.91 -157.75 14.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -31.62 65.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' A' ' 42' ' ' LEU . 30.6 m -58.74 -48.39 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.598 ' HB2' ' C ' ' A' ' 27' ' ' VAL . . . -53.61 -33.09 53.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.04 9.49 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.76 42.67 45.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.97 129.99 24.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 0.771 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.654 ' HB2' HG12 ' A' ' 31' ' ' VAL . . . -160.31 94.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.095 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.99 158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.94 -4.11 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.315 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.5 6.23 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 m -106.28 172.32 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . 6.0 m-20 -109.87 -174.21 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.72 ' HA ' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -112.05 123.4 50.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -97.84 131.07 44.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.701 HD11 HD21 ' A' ' 42' ' ' LEU . 85.6 mt -135.22 126.54 28.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.78 HD11 ' HG2' ' A' ' 77' ' ' GLU . 7.2 tp -96.71 113.55 25.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.738 ' CG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -136.74 153.75 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.82 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -127.92 121.02 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.867 ' HE2' HD12 ' A' ' 60' ' ' LEU . 22.1 m-85 -91.25 132.84 35.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 52' ' ' ARG . 2.5 pp20? -100.23 162.99 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -36.81 133.04 0.61 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.76 -1.1 12.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -133.04 161.25 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.79 . . . . 0.0 110.307 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.8 p -136.24 175.84 9.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 -26.98 28.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -43.87 95.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.717 ' NE2' ' CD1' ' A' ' 48' ' ' PHE . 6.5 m170 -56.85 -52.1 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.575 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -68.55 -41.55 79.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.99 -43.85 97.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.867 HD12 ' HE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -57.62 -38.11 74.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.976 ' HG3' HD23 ' A' ' 62' ' ' LEU . 2.5 tptm -59.92 -52.24 66.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.976 HD23 ' HG3' ' A' ' 61' ' ' LYS . 2.1 mt -57.73 -40.77 80.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.064 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -58.93 -35.96 73.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.635 ' HG ' HD11 ' A' ' 74' ' ' ILE . 2.9 mt -72.11 -46.18 57.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' O ' ' HA2' ' A' ' 69' ' ' GLY . 36.2 mt-10 -57.05 -26.87 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.29 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 -51.32 8.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.05 -42.91 62.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 70' ' ' VAL . 9.0 mp -79.43 -10.86 59.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.478 ' C ' HG13 ' A' ' 70' ' ' VAL . . . 43.5 23.89 0.35 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 68' ' ' LEU . 15.7 m -155.37 154.86 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -40.67 135.22 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.697 HG13 HD23 ' A' ' 42' ' ' LEU . 3.7 t -133.76 139.79 47.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 0.5 OUTLIER -120.96 110.59 16.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.848 HD13 HD13 ' A' ' 60' ' ' LEU . 64.3 mt -96.59 144.77 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG11 HD21 ' A' ' 80' ' ' LEU . 2.4 t -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' GLY . 24.3 p -112.36 122.05 46.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.78 ' HG2' HD11 ' A' ' 45' ' ' LEU . 2.3 mt-10 -42.2 -43.23 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -39.11 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 76' ' ' SER . . . -73.45 -38.92 51.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.834 HD13 HG21 ' A' ' 88' ' ' VAL . 0.3 OUTLIER -58.12 144.69 39.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.751 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -74.05 166.19 46.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.1 Cg_endo -75.03 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.5 ptt-85 -77.33 -25.35 51.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.046 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -82.96 -34.19 26.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.535 ' HE ' HD11 ' A' ' 89' ' ' LEU . 20.3 ttt180 -53.24 -50.24 65.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 89' ' ' LEU . 24.4 mm-40 -54.62 -41.46 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -72.16 -36.74 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 84' ' ' LEU . 40.7 t -62.53 -43.56 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.535 HD11 ' HE ' ' A' ' 85' ' ' ARG . 16.2 mt -56.43 -44.21 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -53.59 -23.95 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 93' ' ' ILE . 3.4 mm-40 -102.99 -38.15 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 89' ' ' LEU . . . -53.0 123.73 12.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.653 HG23 ' O ' ' A' ' 91' ' ' GLU . 2.3 pp -121.98 125.83 26.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.993 HD13 ' HG2' ' A' ' 10' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 0.6 OUTLIER -72.69 108.04 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.535 ' CG ' ' O ' ' A' ' -1' ' ' SER . 11.4 m80 -160.14 110.46 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.542 ' CE ' HD11 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -142.81 87.36 1.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.588 ' O ' HD13 ' A' ' 6' ' ' LEU . 2.4 m-20 -123.06 166.29 15.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -65.11 -47.69 76.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -58.7 -44.33 90.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.55 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -69.87 -32.86 71.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.438 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD13 ' O ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -58.28 -42.35 86.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HA ' ' HB2' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -57.01 -28.65 62.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -59.5 -56.17 25.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.686 ' HG2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -78.28 -31.73 49.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.686 ' N ' ' HG2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -56.55 -34.1 66.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.87 -48.24 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.85 -45.11 53.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.997 HG13 HD22 ' A' ' 64' ' ' LEU . 73.0 t -55.68 -45.28 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 95' ' ' LEU . 6.9 mt -58.2 -43.85 87.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.55 -36.76 85.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -76.96 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.814 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -54.45 -41.75 69.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 108.323 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -20.02 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.777 ' CB ' HD22 ' A' ' 60' ' ' LEU . 75.2 m-70 -93.63 -8.96 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.651 ' O ' HG13 ' A' ' 23' ' ' VAL . . . 112.64 -19.43 21.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' A' ' 17' ' ' CYS . . . -56.1 111.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.772 HG22 ' HB3' ' A' ' 47' ' ' ALA . 18.0 m -103.5 -53.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -71.59 72.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.713 ' HB ' HD22 ' A' ' 14' ' ' LEU . 19.7 m -73.66 99.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.57 155.93 37.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.699 HG13 HD12 ' A' ' 44' ' ' LEU . 2.0 t -108.3 123.78 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 2.0 p90 -125.11 135.12 52.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.87 -156.88 16.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -30.31 63.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.785 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.861 HG11 ' CD2' ' A' ' 42' ' ' LEU . 74.2 t -57.03 -49.2 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.002 ' HB1' HG12 ' A' ' 93' ' ' ILE . . . -57.49 -32.93 67.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.36 -10.29 59.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.31 31.04 9.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.587 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 2.3 mm-40 -124.66 125.87 44.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . 170.08 93.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -175.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -80.9 1.72 29.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -119.39 -1.99 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.7 t -90.38 170.83 9.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.17 173.2 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.861 ' CD2' HG11 ' A' ' 31' ' ' VAL . 1.8 tm? -115.16 115.47 26.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 m-20 -98.24 117.26 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.699 HD12 HG13 ' A' ' 27' ' ' VAL . 1.1 tp -129.51 125.76 37.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.58 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -100.43 111.78 24.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.514 ' N ' HD22 ' A' ' 45' ' ' LEU . 1.1 m -129.99 159.52 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.772 ' HB3' HG22 ' A' ' 23' ' ' VAL . . . -117.99 125.45 50.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.637 ' CD2' ' NE2' ' A' ' 57' ' ' HIS . 38.6 m-85 -92.29 117.76 30.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.582 ' CD ' HG11 ' A' ' 23' ' ' VAL . 6.2 mm-40 -44.76 170.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.03 111.36 15.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.83 -11.65 5.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -76.88 136.95 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -105.8 164.39 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 57' ' ' HIS . 0.1 OUTLIER -57.68 -27.76 63.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -42.86 79.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.0 m-20 -70.27 -36.83 74.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.666 ' HB2' HD13 ' A' ' 54' ' ' LEU . 11.9 m170 -59.23 -50.98 71.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.34 99.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' HA ' HD23 ' A' ' 62' ' ' LEU . 6.9 mmt180 -66.22 -38.55 88.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.777 HD22 ' CB ' ' A' ' 20' ' ' HIS . 8.6 tp -61.87 -51.45 68.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.51 -48.06 80.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.18 -28.0 69.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -73.52 -41.72 62.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.997 HD22 HG13 ' A' ' 13' ' ' VAL . 4.1 mt -70.92 -35.39 72.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 69' ' ' GLY . 46.3 mt-10 -66.26 -26.26 67.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.32 -51.02 18.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.565 1.165 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD2' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -65.92 -42.35 90.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.727 HD13 HG21 ' A' ' 72' ' ' VAL . 1.6 mt -81.42 -15.46 55.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 65' ' ' GLU . . . 48.82 21.69 2.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 72' ' ' VAL . 21.2 m -145.06 150.87 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -39.78 127.81 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 70' ' ' VAL . 39.3 t -133.5 132.51 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -113.44 133.5 55.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.557 HD11 HD12 ' A' ' 64' ' ' LEU . 57.5 mt -120.52 143.01 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 80' ' ' LEU . 25.4 t -120.44 141.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 85.0 p -106.5 120.7 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HG3' HD21 ' A' ' 45' ' ' LEU . 7.5 mt-10 -40.6 -38.53 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -62.16 -51.28 68.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.05 -19.19 67.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 80' ' ' LEU . 4.5 mt -67.85 173.53 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 84' ' ' LEU . . . -105.32 168.43 8.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 81' ' ' ALA . 18.3 Cg_endo -75.01 -45.29 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -78.85 -25.57 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 44.0 mt -83.41 -44.95 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 46.0 ttt180 -52.26 -50.61 61.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.38 -40.91 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -72.05 -36.22 69.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.527 HG13 ' CG ' ' A' ' 28' ' ' PHE . 41.7 t -62.93 -46.09 97.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.3 mt -55.45 -43.07 75.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -54.0 -23.66 14.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.959 ' O ' HG23 ' A' ' 93' ' ' ILE . 2.9 mm-40 -104.24 -39.62 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.47 127.57 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.002 HG12 ' HB1' ' A' ' 32' ' ' ALA . 1.8 pp -134.74 148.17 66.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 140.89 26.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.89 HD12 HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 stop_ save_